Chembase list of 866358 unique molecular structures

1-(3-bromopropanesulfonyl)-2-methoxyethane

$$$$ Data

M. F.

C6H13BrO3S

Suppliers	Catalog Number
Enamine	EN300-62857

Database	Data ID
PubChem	43445962

M. W.

245.13462

CAS

Similarity

N/A

ID: 267502

2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine

$$$$ Data

M. F.

C11H18N2OS

Suppliers	Catalog Number
Enamine	EN300-62860

Database	Data ID
PubChem	50986347

M. W.

226.33842

CAS

Similarity

N/A

ID: 267503

3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine

$$$$ Data

M. F.

C7H12N4

Suppliers	Catalog Number
Enamine	EN300-62862

Database	Data ID
PubChem	50987769

M. W.

152.19698

CAS

Similarity

N/A

ID: 267504

3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine

$$$$ Data

M. F.

C8H14N4

Suppliers	Catalog Number
Enamine	EN300-62863

Database	Data ID
PubChem	50987852

M. W.

166.22356

CAS

Similarity

N/A

ID: 267505

3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine

$$$$ Data

M. F.

C9H16N4

Suppliers	Catalog Number
Enamine	EN300-62864

Database	Data ID
PubChem	50986550

M. W.

180.25014

CAS

Similarity

N/A

ID: 267506

2-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-62866

Database	Data ID
PubChem	43370280

M. W.

151.20892

CAS

Similarity

N/A

ID: 267507

2-tert-butyl-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-amine

$$$$ Data

M. F.

C11H19N3

Suppliers	Catalog Number
Enamine	EN300-62867

Database	Data ID
PubChem	54592555

M. W.

193.28866

CAS

Similarity

N/A

ID: 267508

1-cyclohexylethan-1-amine

$$$$ Data

M. F.

C8H17N

Suppliers	Catalog Number
ChemBridge	4019758
Enamine	EN300-62869

Database	Data ID
PubChem	110733

M. W.

127.22728

CAS

54423-01-7

Similarity

N/A

ID: 267509

4-chloro-6-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

$$$$ Data

M. F.

C8H10ClN3

Suppliers	Catalog Number
Enamine	EN300-62876

Database	Data ID
PubChem	21958871

M. W.

183.6381

CAS

Similarity

N/A

ID: 267510

4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Enamine	EN300-62879

Database	Data ID
PubChem	50989214

M. W.

165.19244

CAS

Similarity

N/A

ID: 267511

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
Enamine	EN300-62880

Database	Data ID
PubChem	50988019

M. W.

179.21902

CAS

Similarity

N/A

ID: 267512

N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
Enamine	EN300-62881

Database	Data ID
PubChem	50988943

M. W.

178.23426

CAS

Similarity

N/A

ID: 267513

4-{5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-yl}morpholine

$$$$ Data

M. F.

C11H16N4O

Suppliers	Catalog Number
Enamine	EN300-62882

Database	Data ID
PubChem	50986271

M. W.

220.27094

CAS

Similarity

N/A

ID: 267514

4-(1H-pyrazol-4-yl)piperidine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-62897
A&J Pharmtech	AJA-O19220

Database	Data ID
PubChem	28605195

M. W.

151.20892

CAS

147081-85-4

Similarity

N/A

ID: 267515

4-(1-methyl-1H-pyrazol-4-yl)piperidine

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Enamine	EN300-62898

Database	Data ID
PubChem	50988986

M. W.

165.2355

CAS

Similarity

N/A

ID: 267516

4-(1-ethyl-1H-pyrazol-4-yl)piperidine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-62899

Database	Data ID
PubChem	50987960

M. W.

179.26208

CAS

Similarity

N/A

ID: 267517

3-(1H-pyrazol-4-yl)piperidine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-62901

Database	Data ID
PubChem	53612880

M. W.

151.20892

CAS

Similarity

N/A

ID: 267518

5-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Enamine	EN300-62905

Database	Data ID
PubChem	50987747

M. W.

167.20832

CAS

Similarity

N/A

ID: 267519

4-(1-methyl-1H-pyrazol-5-yl)piperidine

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Enamine	EN300-62916

Database	Data ID
PubChem	50989018

M. W.

165.2355

CAS

Similarity

N/A

ID: 267520

4-(1H-pyrazol-5-yl)piperidine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
ChemBridge	4045221
Enamine	EN300-62917
A&J Pharmtech	AJA-O37642

Database	Data ID
PubChem	21193114

M. W.

151.20892

CAS

278798-08-6

Similarity

N/A

ID: 267521

2-[5-(piperidin-4-yl)-1H-pyrazol-1-yl]ethan-1-ol

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Enamine	EN300-62918

Database	Data ID
PubChem	50990677

M. W.

195.26148

CAS

Similarity

N/A

ID: 267522

5,6-diamino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C6H10N4O2

Suppliers	Catalog Number
Enamine	EN300-62931

Database	Data ID
PubChem	21916360

M. W.

170.1692

CAS

Similarity

N/A

ID: 267523

6-amino-1-ethyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C8H14N4O2

Suppliers	Catalog Number
Enamine	EN300-62932

Database	Data ID
PubChem	47003040

M. W.

198.22236

CAS

Similarity

N/A

ID: 267524

6-amino-1-ethyl-5-(methylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C7H12N4O2

Suppliers	Catalog Number
Enamine	EN300-62933

Database	Data ID
PubChem	14712573

M. W.

184.19578

CAS

Similarity

N/A

ID: 267525

4-chloro-5-fluoro-2,6-dimethylpyrimidine

$$$$ Data

M. F.

C6H6ClFN2

Suppliers	Catalog Number
Enamine	EN300-62969

Database	Data ID
PubChem	62405851

M. W.

160.5766432

CAS

Similarity

N/A

ID: 267526

2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine

$$$$ Data

M. F.

C11H18N4

Suppliers	Catalog Number
Enamine	EN300-62993

Database	Data ID
PubChem	50986273

M. W.

206.28742

CAS

Similarity

N/A

ID: 267527

3-(4-sulfamoylphenoxy)propanoic acid

$$$$ Data

M. F.

C9H11NO5S

Suppliers	Catalog Number
Enamine	EN300-63216

Database	Data ID
PubChem	24271013

M. W.

245.25234

CAS

Similarity

N/A

ID: 267528

5-[(tert-butoxy)carbonyl]-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C15H18N2O4

Suppliers	Catalog Number
Enamine	EN300-63218

Database	Data ID
PubChem	50986368

M. W.

290.31442

CAS

Similarity

N/A

ID: 267529

3-(ethoxycarbonyl)-1-phenyl-4,5-dihydro-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C13H14N2O4

Suppliers	Catalog Number
Enamine	EN300-63219

Database	Data ID
PubChem	50988002

M. W.

262.26126

CAS

Similarity

N/A

ID: 267530

tert-butyl N-[1-(N-hydroxycarbamimidoyl)cyclobutyl]carbamate

$$$$ Data

M. F.

C10H19N3O3

Suppliers	Catalog Number
Enamine	EN300-63220

Database	Data ID
PubChem	50986462

M. W.

229.27616

CAS

Similarity

N/A

ID: 267531

tert-butyl N-(1-cyanocyclobutyl)carbamate

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Enamine	EN300-63221

Database	Data ID
PubChem	50986461

M. W.

196.24624

CAS

Similarity

N/A

ID: 267532

tert-butyl N-(1-carbamothioylcyclobutyl)carbamate

$$$$ Data

M. F.

C10H18N2O2S

Suppliers	Catalog Number
Enamine	EN300-63223

Database	Data ID
PubChem	50986463

M. W.

230.32712

CAS

Similarity

N/A

ID: 267533

N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

$$$$ Data

M. F.

C10H15N3

Suppliers	Catalog Number
Enamine	EN300-63224

Database	Data ID
PubChem	50987391

M. W.

177.2462

CAS

Similarity

N/A

ID: 267534

5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-63230

Database	Data ID
PubChem	50987739

M. W.

191.27278

CAS

Similarity

N/A

ID: 267535

4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-63238

Database	Data ID
PubChem	50987716

M. W.

191.27278

CAS

Similarity

N/A

ID: 267536

6-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-63239

Database	Data ID
PubChem	50987750

M. W.

191.27278

CAS

Similarity

N/A

ID: 267537

N-(2-aminoethyl)-6-phenylpyridazin-3-amine

$$$$ Data

M. F.

C12H14N4

Suppliers	Catalog Number
Enamine	EN300-63314

Database	Data ID
PubChem	6410657

M. W.

214.26636

CAS

Similarity

N/A

ID: 267538

1-ethyl-2-methyl-4,5,6,7-tetrahydro-1H-indol-4-amine

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Enamine	EN300-63463

Database	Data ID
PubChem	50987957

M. W.

178.27402

CAS

Similarity

N/A

ID: 267539

2-(2-ethyl-1H-1,3-benzodiazol-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H15N3

Suppliers	Catalog Number
Enamine	EN300-63467

Database	Data ID
PubChem	12299118

M. W.

189.2569

CAS

Similarity

N/A

ID: 267540

2-{4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethan-1-ol

$$$$ Data

M. F.

C7H7ClN4O

Suppliers	Catalog Number
Enamine	EN300-63589

Database	Data ID
PubChem	15269873

M. W.

198.60968

CAS

Similarity

N/A

ID: 267541

3-{4-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl}propanenitrile

$$$$ Data

M. F.

C8H6ClN5

Suppliers	Catalog Number
Enamine	EN300-63590

Database	Data ID
PubChem	43364171

M. W.

207.61974

CAS

Similarity

N/A

ID: 267542

4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine

$$$$ Data

M. F.

C10H8ClN3

Suppliers	Catalog Number
Enamine	EN300-63620

Database	Data ID
PubChem	45788095

M. W.

205.64362

CAS

Similarity

N/A

ID: 267543

3-(chloromethyl)-5-(oxan-4-yl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Enamine	EN300-63665

Database	Data ID
PubChem	50988922

M. W.

202.63814

CAS

Similarity

N/A

ID: 267544

3-(chloromethyl)-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C14H15ClN2O2

Suppliers	Catalog Number
Enamine	EN300-63668

Database	Data ID
PubChem	54592556

M. W.

278.7341

CAS

Similarity

N/A

ID: 267545

2-cyano-N-(1-methyl-1H-pyrazol-5-yl)acetamide

$$$$ Data

M. F.

C7H8N4O

Suppliers	Catalog Number
Enamine	EN300-63705

Database	Data ID
PubChem	2808727

M. W.

164.16462

CAS

Similarity

N/A

ID: 267546

2-amino-3-methyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C5H7N3O

Suppliers	Catalog Number
Enamine	EN300-63710

Database	Data ID
PubChem	10313133

M. W.

125.12858

CAS

Similarity

N/A

ID: 267547

1-(4-methyl-1,3-thiazol-2-yl)cyclobutan-1-amine

$$$$ Data

M. F.

C8H12N2S

Suppliers	Catalog Number
Enamine	EN300-63728

Database	Data ID
PubChem	54592557

M. W.

168.25928

CAS

Similarity

N/A

ID: 267548

2,3-dimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
Enamine	EN300-63734

Database	Data ID
PubChem	50987626

M. W.

151.20892

CAS

Similarity

N/A

ID: 267549

1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

$$$$ Data

M. F.

C9H15N3O

Suppliers	Catalog Number
Enamine	EN300-63748

Database	Data ID
PubChem	43559358

M. W.

181.2349

CAS

Similarity

N/A

ID: 267550

1-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Enamine	EN300-63749

Database	Data ID
PubChem	43559605

M. W.

195.26148

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