Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C14H15N

Suppliers	Catalog Number
ChemBridge	5214047
Matrix Scientific	053852
Enamine	EN300-10756

Database	Data ID
PubChem	2734295

M. W.

197.2756

CAS

55095-21-1

Similarity

N/A

ID: 50352

(4-methoxyphenyl)(4-methylphenyl)methanamine

$$$$ Data

M. F.

C15H17NO

Suppliers	Catalog Number
Matrix Scientific	053853

Database	Data ID
PubChem	4711751

M. W.

227.30158

CAS

161110-74-3

Similarity

N/A

ID: 50353

2-bromo-6-methoxybenzoic acid

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Alfa Aesar	H31604
Matrix Scientific	053854
Bide Pharmatech	BD72066

Database	Data ID
PubChem	11117881

M. W.

231.04338

CAS

31786-45-5

Similarity

N/A

ID: 50354

2-bromo-6-ethoxybenzoic acid

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Matrix Scientific	053855

Database	Data ID
PubChem	53409110

M. W.

245.06996

CAS

Similarity

N/A

ID: 50355

2-chloro-6-ethoxybenzoic acid

$$$$ Data

M. F.

C9H9ClO3

Suppliers	Catalog Number
Matrix Scientific	053857

Database	Data ID
PubChem	28604773

M. W.

200.61896

CAS

Similarity

N/A

ID: 50356

4,5,6,7-tetrahydro-1-benzothiophen-4-one

$$$$ Data More

M. F.

C8H8OS

Suppliers	Catalog Number
Sigma Aldrich	K3603 37282
Alfa Aesar	H60220
Matrix Scientific	053860

Database	Data ID
PubChem	83418

M. W.

152.21352

CAS

13414-95-4

Similarity

N/A

ID: 50357

2-(2-fluorobenzoyl)aniline

$$$$ Data

M. F.

C13H10FNO

Suppliers	Catalog Number
Matrix Scientific	053865

Database	Data ID
PubChem	74101

M. W.

215.2230032

CAS

1581-13-1

Similarity

N/A

ID: 50358

2-(2-fluorobenzoyl)-3-methoxyaniline

$$$$ Data

M. F.

C14H12FNO2

Suppliers	Catalog Number
Matrix Scientific	053866

Database	Data ID
PubChem	56832284

M. W.

245.2489832

CAS

Similarity

N/A

ID: 50359

2-benzoyl-3-methoxyaniline

$$$$ Data

M. F.

C14H13NO2

Suppliers	Catalog Number
Matrix Scientific	053867

Database	Data ID
PubChem	54775463

M. W.

227.25852

CAS

Similarity

N/A

ID: 50360

5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride

$$$$ Data

M. F.

C6H8ClN3

Suppliers	Catalog Number
Matrix Scientific	053868

Database	Data ID
PubChem	54758847

M. W.

157.60082

CAS

157327-51-0

Similarity

N/A

ID: 50361

2-ethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C8H11N3

Suppliers	Catalog Number
Matrix Scientific	053870

Database	Data ID
PubChem	55279413

M. W.

149.19304

CAS

Similarity

N/A

ID: 50362

2-tert-butyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C10H15N3

Suppliers	Catalog Number
Matrix Scientific	053871

Database	Data ID
PubChem	55279414

M. W.

177.2462

CAS

Similarity

N/A

ID: 50363

2-phenyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride

$$$$ Data

M. F.

C12H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	053873

Database	Data ID
PubChem	71299298

M. W.

270.15772

CAS

Similarity

N/A

ID: 50364

1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole dihydrochloride

$$$$ Data

M. F.

C5H9Cl2N3

Suppliers	Catalog Number
Matrix Scientific	053874
Bide Pharmatech	BD163195

Database	Data ID
PubChem	46840012

M. W.

182.05106

CAS

157327-47-4

Similarity

N/A

ID: 50365

2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Matrix Scientific	053875

Database	Data ID
PubChem	51000345

M. W.

151.16586

CAS

Similarity

N/A

ID: 50366

2-ethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Matrix Scientific	053876

Database	Data ID
PubChem	55279522

M. W.

165.19244

CAS

Similarity

N/A

ID: 50367

2-methoxy-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C7H9N3O2

Suppliers	Catalog Number
Matrix Scientific	053877

Database	Data ID
PubChem	55279523

M. W.

167.16526

CAS

Similarity

N/A

ID: 50368

2-tert-butyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Matrix Scientific	053878

Database	Data ID
PubChem	55279524

M. W.

193.2456

CAS

Similarity

N/A

ID: 50369

2-cyclopropyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C9H11N3O

Suppliers	Catalog Number
Matrix Scientific	053879

Database	Data ID
PubChem	55279652

M. W.

177.20314

CAS

Similarity

N/A

ID: 50370

2-(propan-2-yl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Matrix Scientific	053880

Database	Data ID
PubChem	55279653

M. W.

179.21902

CAS

Similarity

N/A

ID: 50371

2-propyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Matrix Scientific	053881

Database	Data ID
PubChem	55279654

M. W.

179.21902

CAS

Similarity

N/A

ID: 50372

2-(pyridin-2-yl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C11H10N4O

Suppliers	Catalog Number
Matrix Scientific	053882

Database	Data ID
PubChem	56832285

M. W.

214.2233

CAS

Similarity

N/A

ID: 50373

2-(pyridin-4-yl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C11H10N4O

Suppliers	Catalog Number
Matrix Scientific	053883

Database	Data ID
PubChem	56832286

M. W.

214.2233

CAS

Similarity

N/A

ID: 50374

2-benzyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
Matrix Scientific	053884

Database	Data ID
PubChem	56832287

M. W.

227.26182

CAS

Similarity

N/A

ID: 50375

(3-methylpyridin-2-yl)methanamine

$$$$ Data More

M. F.

C7H10N2

Suppliers	Catalog Number
Matrix Scientific	053885
Apollo Scientific	OR52052
Enamine	EN300-70011

Database	Data ID
PubChem	1514370

M. W.

122.1677

CAS

153936-26-6

Similarity

N/A

ID: 50376

methyl[(3-methylpyridin-2-yl)methyl]amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	4003220
Matrix Scientific	053886

Database	Data ID
PubChem	23365109

M. W.

136.19428

CAS

880361-72-8

Similarity

N/A

ID: 50377

ethyl[(3-methylpyridin-2-yl)methyl]amine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
Matrix Scientific	053887

Database	Data ID
PubChem	53410775

M. W.

150.22086

CAS

Similarity

N/A

ID: 50378

dimethyl[2-(piperidin-3-yl)ethyl]amine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
ChemBridge	4102790
Matrix Scientific	053888

Database	Data ID
PubChem	21186415

M. W.

156.2685

CAS

933684-70-9

Similarity

N/A

ID: 50379

(6-methylpyridin-2-yl)methanamine

$$$$ Data More

M. F.

C7H10N2

Suppliers	Catalog Number
ChemBridge	4102566
Matrix Scientific	053889
Enamine	EN300-49537

Database	Data ID
PubChem	246721

M. W.

122.1677

CAS

6627-60-7

Similarity

N/A

ID: 50380

(4-methylpyridin-3-yl)methanamine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Matrix Scientific	053890
A&J Pharmtech	AJA-O30734

Database	Data ID
PubChem	12216557

M. W.

122.1677

CAS

1443-42-1

Similarity

N/A

ID: 50381

methyl 2-(4-methyl-3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C8H14N2O3

Suppliers	Catalog Number
Matrix Scientific	053891

Database	Data ID
PubChem	45115672

M. W.

186.20836

CAS

Similarity

N/A

ID: 50382

methyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Matrix Scientific	053892

Database	Data ID
PubChem	45094575

M. W.

200.23494

CAS

Similarity

N/A

ID: 50383

methyl 2-(4-benzyl-3-oxopiperazin-2-yl)acetate

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
Matrix Scientific	053893

Database	Data ID
PubChem	53410590

M. W.

262.30432

CAS

Similarity

N/A

ID: 50384

2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C8H14N2O3

Suppliers	Catalog Number
Matrix Scientific	053894

Database	Data ID
PubChem	53408603

M. W.

186.20836

CAS

Similarity

N/A

ID: 50385

2-(1-ethyl-4-methyl-3-oxopiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Matrix Scientific	053895

Database	Data ID
PubChem	53408608

M. W.

200.23494

CAS

Similarity

N/A

ID: 50386

2-[4-methyl-3-oxo-1-(propan-2-yl)piperazin-2-yl]acetic acid

$$$$ Data

M. F.

C10H18N2O3

Suppliers	Catalog Number
Matrix Scientific	053896

Database	Data ID
PubChem	53408613

M. W.

214.26152

CAS

Similarity

N/A

ID: 50387

2-(1-benzyl-4-methyl-3-oxopiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
Matrix Scientific	053897

Database	Data ID
PubChem	53408606

M. W.

262.30432

CAS

Similarity

N/A

ID: 50388

2-(4-methyl-3-oxo-1-propylpiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C10H18N2O3

Suppliers	Catalog Number
Matrix Scientific	053898

Database	Data ID
PubChem	53408762

M. W.

214.26152

CAS

Similarity

N/A

ID: 50389

2-(1-methyl-3-oxopiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C7H12N2O3

Suppliers	Catalog Number
ChemBridge	13089278
Matrix Scientific	053899
Life Chemicals	F3034-0135

Database	Data ID
PubChem	653824

M. W.

172.18178

CAS

1033537-82-4

Similarity

N/A

ID: 50390

2-(3-oxo-1-propylpiperazin-2-yl)acetic acid

$$$$ Data

M. F.

C9H16N2O3

Suppliers	Catalog Number
Matrix Scientific	053900

Database	Data ID
PubChem	53408734

M. W.

200.23494

CAS

Similarity

N/A

ID: 50391

(1-benzylazetidin-3-yl)methanamine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Matrix Scientific	053901

Database	Data ID
PubChem	53346576

M. W.

176.25814

CAS

Similarity

N/A

ID: 50392

3-(ethoxymethyl)azetidine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Matrix Scientific	053902

Database	Data ID
PubChem	53409356

M. W.

115.17352

CAS

Similarity

N/A

ID: 50393

3-(propoxymethyl)azetidine

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Matrix Scientific	053903

Database	Data ID
PubChem	53409365

M. W.

129.2001

CAS

Similarity

N/A

ID: 50394

3-[(2-methoxyethoxy)methyl]azetidine

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
Matrix Scientific	053904

Database	Data ID
PubChem	53409406

M. W.

145.1995

CAS

Similarity

N/A

ID: 50395

3-[(2-ethoxyethoxy)methyl]azetidine

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Matrix Scientific	053905

Database	Data ID
PubChem	53409394

M. W.

159.22608

CAS

Similarity

N/A

ID: 50396

3-[(benzyloxy)methyl]azetidine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Matrix Scientific	053906

Database	Data ID
PubChem	53409469

M. W.

177.2429

CAS

Similarity

N/A

ID: 50397

3-[(oxolan-2-ylmethoxy)methyl]azetidine

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	053907

Database	Data ID
PubChem	53409477

M. W.

171.23678

CAS

Similarity

N/A

ID: 50398

2-(ethoxymethyl)azetidine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Matrix Scientific	053908

Database	Data ID
PubChem	53408795

M. W.

115.17352

CAS

Similarity

N/A

ID: 50399

2-[(oxolan-2-ylmethoxy)methyl]azetidine

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	053909

Database	Data ID
PubChem	53408848

M. W.

171.23678

CAS

Similarity

N/A

ID: 50400

2-[(benzyloxy)methyl]azetidine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Matrix Scientific	053910

Database	Data ID
PubChem	53408846

M. W.

177.2429

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