Chembase list of 866358 unique molecular structures

3-(piperazin-1-yl)-6-(pyridin-2-yl)pyridazine

$$$$ Data

M. F.

C13H15N5

Suppliers	Catalog Number
Life Chemicals	F1967-0470

Database	Data ID
PubChem	33676341

M. W.

241.2917

CAS

Similarity

N/A

ID: 114302

3-(piperazin-1-yl)-6-(pyridin-3-yl)pyridazine

$$$$ Data

M. F.

C13H15N5

Suppliers	Catalog Number
Life Chemicals	F1967-0471

Database	Data ID
PubChem	33676346

M. W.

241.2917

CAS

Similarity

N/A

ID: 114303

3-(piperazin-1-yl)-6-(pyridin-4-yl)pyridazine

$$$$ Data

M. F.

C13H15N5

Suppliers	Catalog Number
Life Chemicals	F1967-0472

Database	Data ID
PubChem	33676351

M. W.

241.2917

CAS

Similarity

N/A

ID: 114304

3-(piperazin-1-yl)-6-(thiophen-2-yl)pyridazine

$$$$ Data

M. F.

C12H14N4S

Suppliers	Catalog Number
Life Chemicals	F1967-0473

Database	Data ID
PubChem	24252645

M. W.

246.33136

CAS

Similarity

N/A

ID: 114305

3-(furan-2-yl)-6-(piperazin-1-yl)pyridazine

$$$$ Data

M. F.

C12H14N4O

Suppliers	Catalog Number
Life Chemicals	F1967-0474

Database	Data ID
PubChem	33676356

M. W.

230.26576

CAS

Similarity

N/A

ID: 114306

pyridazine-3-thiol

$$$$ Data

M. F.

C4H4N2S

Suppliers	Catalog Number
Life Chemicals	F1967-0475
Enamine	EN300-108047

Database	Data ID
PubChem	3648689

M. W.

112.15296

CAS

28544-77-6

Similarity

N/A

ID: 114307

6-ethylpyrimidin-4-ol

$$$$ Data More

M. F.

C6H8N2O

Suppliers	Catalog Number
ChemBridge	4038765
Life Chemicals	F1967-0477
Enamine	EN300-53291

Database	Data ID
PubChem	11137162

M. W.

124.14052

CAS

124703-78-2

Similarity

N/A

ID: 114308

6-propylpyrimidin-4-ol

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Life Chemicals	F1967-0478

Database	Data ID
PubChem	21444397

M. W.

138.1671

CAS

Similarity

N/A

ID: 114309

6-butylpyrimidin-4-ol

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Life Chemicals	F1967-0479

Database	Data ID
PubChem	33676363

M. W.

152.19368

CAS

Similarity

N/A

ID: 114310

6-(propan-2-yl)pyrimidin-4-ol

$$$$ Data More

M. F.

C7H10N2O

Suppliers	Catalog Number
ChemBridge	4039408
Life Chemicals	F1967-0480
Enamine	EN300-53305

Database	Data ID
PubChem	14672628

M. W.

138.1671

CAS

124703-81-7

Similarity

N/A

ID: 114311

6-phenylpyrimidin-4-ol

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Life Chemicals	F1967-0481

Database	Data ID
PubChem	599074

M. W.

172.18332

CAS

Similarity

N/A

ID: 114312

6-(4-fluorophenyl)pyrimidin-4-ol

$$$$ Data

M. F.

C10H7FN2O

Suppliers	Catalog Number
Life Chemicals	F1967-0482

Database	Data ID
PubChem	605444

M. W.

190.1737832

CAS

Similarity

N/A

ID: 114313

6-(4-methoxyphenyl)pyrimidin-4-ol

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Life Chemicals	F1967-0483

Database	Data ID
PubChem	33676370

M. W.

202.2093

CAS

Similarity

N/A

ID: 114314

6-(2-methoxyphenyl)pyrimidin-4-ol

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Life Chemicals	F1967-0484

Database	Data ID
PubChem	33676372

M. W.

202.2093

CAS

Similarity

N/A

ID: 114315

6-(pyridin-3-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0485

Database	Data ID
PubChem	33676375

M. W.

173.17138

CAS

Similarity

N/A

ID: 114316

6-(pyridin-2-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0486

Database	Data ID
PubChem	33676379

M. W.

173.17138

CAS

Similarity

N/A

ID: 114317

6-(pyridin-4-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0487

Database	Data ID
PubChem	11819495

M. W.

173.17138

CAS

Similarity

N/A

ID: 114318

6-(furan-2-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
Life Chemicals	F1967-0488

Database	Data ID
PubChem	33676384

M. W.

162.14544

CAS

Similarity

N/A

ID: 114319

6-(thiophen-2-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C8H6N2OS

Suppliers	Catalog Number
Life Chemicals	F1967-0489

Database	Data ID
PubChem	33676388

M. W.

178.21104

CAS

Similarity

N/A

ID: 114320

6-benzylpyrimidin-4-ol

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Life Chemicals	F1967-0490

Database	Data ID
PubChem	3031522

M. W.

186.2099

CAS

Similarity

N/A

ID: 114321

4-chloro-6-ethylpyrimidine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Life Chemicals	F1967-0491
Enamine	EN300-53289
A&J Pharmtech	AJA-O22189

Database	Data ID
PubChem	11137271

M. W.

142.58618

CAS

141602-25-7

Similarity

N/A

ID: 114322

4-chloro-6-propylpyrimidine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Life Chemicals	F1967-0492

Database	Data ID
PubChem	22308481

M. W.

156.61276

CAS

Similarity

N/A

ID: 114323

4-butyl-6-chloropyrimidine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
Life Chemicals	F1967-0493

Database	Data ID
PubChem	33676399

M. W.

170.63934

CAS

Similarity

N/A

ID: 114324

4-chloro-6-(propan-2-yl)pyrimidine

$$$$ Data More

M. F.

C7H9ClN2

Suppliers	Catalog Number
ChemBridge	4039261
Life Chemicals	F1967-0494
Enamine	EN300-53303

Database	Data ID
PubChem	22308480

M. W.

156.61276

CAS

954222-10-7

Similarity

N/A

ID: 114325

4-chloro-6-(4-methoxyphenyl)pyrimidine

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Life Chemicals	F1967-0495

Database	Data ID
PubChem	11160353

M. W.

220.65496

CAS

Similarity

N/A

ID: 114326

4-chloro-6-(4-fluorophenyl)pyrimidine

$$$$ Data

M. F.

C10H6ClFN2

Suppliers	Catalog Number
Life Chemicals	F1967-0496

Database	Data ID
PubChem	599728

M. W.

208.6194432

CAS

Similarity

N/A

ID: 114327

4-chloro-6-(4-chlorophenyl)pyrimidine

$$$$ Data

M. F.

C10H6Cl2N2

Suppliers	Catalog Number
Life Chemicals	F1967-0497

Database	Data ID
PubChem	24902089

M. W.

225.07404

CAS

Similarity

N/A

ID: 114328

4-chloro-6-(2-methoxyphenyl)pyrimidine

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Life Chemicals	F1967-0498

Database	Data ID
PubChem	15206835

M. W.

220.65496

CAS

Similarity

N/A

ID: 114329

4-chloro-6-(pyridin-2-yl)pyrimidine

$$$$ Data

M. F.

C9H6ClN3

Suppliers	Catalog Number
Life Chemicals	F1967-0499

Database	Data ID
PubChem	22308473

M. W.

191.61704

CAS

Similarity

N/A

ID: 114330

4-chloro-6-(pyridin-4-yl)pyrimidine

$$$$ Data

M. F.

C9H6ClN3

Suppliers	Catalog Number
Life Chemicals	F1967-0501

Database	Data ID
PubChem	22308475

M. W.

191.61704

CAS

Similarity

N/A

ID: 114331

4-chloro-6-(furan-2-yl)pyrimidine

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Life Chemicals	F1967-0502

Database	Data ID
PubChem	24902102

M. W.

180.5911

CAS

Similarity

N/A

ID: 114332

4-chloro-6-(thiophen-2-yl)pyrimidine

$$$$ Data

M. F.

C8H5ClN2S

Suppliers	Catalog Number
Life Chemicals	F1967-0503

Database	Data ID
PubChem	24902111

M. W.

196.6567

CAS

Similarity

N/A

ID: 114333

3-(2-aminoethyl)-6-methyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0504

Database	Data ID
PubChem	33676427

M. W.

153.18174

CAS

Similarity

N/A

ID: 114334

3-(2-aminoethyl)-6-phenyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Life Chemicals	F1967-0505

Database	Data ID
PubChem	33676430

M. W.

215.25112

CAS

Similarity

N/A

ID: 114335

6-(propan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C7H10N2OS

Suppliers	Catalog Number
Life Chemicals	F1967-0507

Database	Data ID
PubChem	3034510

M. W.

170.2321

CAS

Similarity

N/A

ID: 114336

6-(2-methoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Life Chemicals	F1967-0508

Database	Data ID
PubChem	17354973

M. W.

234.2743

CAS

Similarity

N/A

ID: 114337

6-(4-methoxyphenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Life Chemicals	F1967-0509

Database	Data ID
PubChem	883504

M. W.

234.2743

CAS

33166-87-9

Similarity

N/A

ID: 114338

6-(4-fluorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C10H7FN2OS

Suppliers	Catalog Number
Life Chemicals	F1967-0510

Database	Data ID
PubChem	13072797

M. W.

222.2387832

CAS

Similarity

N/A

ID: 114339

6-(4-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C10H7ClN2OS

Suppliers	Catalog Number
Life Chemicals	F1967-0511

Database	Data ID
PubChem	13370963

M. W.

238.69338

CAS

36479-17-1

Similarity

N/A

ID: 114340

6-(pyridin-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C9H7N3OS

Suppliers	Catalog Number
Life Chemicals	F1967-0512

Database	Data ID
PubChem	33676441

M. W.

205.23638

CAS

Similarity

N/A

ID: 114341

6-(pyridin-3-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C9H7N3OS

Suppliers	Catalog Number
Life Chemicals	F1967-0513

Database	Data ID
PubChem	24070802

M. W.

205.23638

CAS

Similarity

N/A

ID: 114342

6-(pyridin-4-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C9H7N3OS

Suppliers	Catalog Number
Life Chemicals	F1967-0514

Database	Data ID
PubChem	3000733

M. W.

205.23638

CAS

Similarity

N/A

ID: 114343

2-sulfanylidene-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C8H6N2OS2

Suppliers	Catalog Number
Life Chemicals	F1967-0515

Database	Data ID
PubChem	33676451

M. W.

210.27604

CAS

Similarity

N/A

ID: 114344

6-(furan-2-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Life Chemicals	F1967-0516

Database	Data ID
PubChem	4774866

M. W.

194.21044

CAS

Similarity

N/A

ID: 114345

(E)-2-phenylethene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H7ClO2S

Suppliers	Catalog Number
Sigma Aldrich	150525
Life Chemicals	F1967-0518
A&J Pharmtech	AJA-O7507

Database	Data ID
PubChem	5369377

M. W.

202.65798

CAS

52147-97-4

Similarity

N/A

ID: 114346

4-(2-aminoethoxy)-6-(4-phenylpiperazin-1-yl)pyrimidine

$$$$ Data

M. F.

C16H21N5O

Suppliers	Catalog Number
Life Chemicals	F1967-0529

Database	Data ID
PubChem	45496226

M. W.

299.37084

CAS

Similarity

N/A

ID: 114347

4-(piperazin-1-yl)-6-(piperidin-1-yl)pyrimidine

$$$$ Data

M. F.

C13H21N5

Suppliers	Catalog Number
Life Chemicals	F1967-0545

Database	Data ID
PubChem	45496227

M. W.

247.33934

CAS

Similarity

N/A

ID: 114348

4-[6-(piperazin-1-yl)pyrimidin-4-yl]morpholine

$$$$ Data

M. F.

C12H19N5O

Suppliers	Catalog Number
Life Chemicals	F1967-0546
Enamine	EN300-81731

Database	Data ID
PubChem	45496228

M. W.

249.31216

CAS

Similarity

N/A

ID: 114349

2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,1...

$$$$ Data

M. F.

C12H9N3S

Suppliers	Catalog Number
Life Chemicals	F1967-0565

Database	Data ID
PubChem	45496229

M. W.

227.28496

CAS

Similarity

N/A

ID: 114350

2-methyl-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}aniline

$$$$ Data

M. F.

C13H11N3S

Suppliers	Catalog Number
Life Chemicals	F1967-0566

Database	Data ID
PubChem	45496230

M. W.

241.31154

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified