Chembase list of 866358 unique molecular structures

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37759

Database

Data ID

M. W.

135.16316

CAS

867141-55-7

Similarity

N/A

ID: 815452

(2,3-dimethylpyridin-4-yl)methanol

$$$$

M. F.

C8H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37760

Database

Data ID

M. W.

137.17904

CAS

867141-54-6

Similarity

N/A

ID: 815453

5-amino-2,3,4-trifluorobenzoic acid

$$$$

M. F.

C7H4F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37761

Database

Data ID

M. W.

191.1073696

CAS

203916-57-8

Similarity

N/A

ID: 815454

3-chloro-6-methoxypyridin-2-amine

$$$$

M. F.

C6H7ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37762

Database

Data ID

M. W.

158.58558

CAS

742070-73-1

Similarity

N/A

ID: 815455

5-fluoro-2-phenylpyridine

$$$$

M. F.

C11H8FN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37766

Database

Data ID

M. W.

173.1863232

CAS

512171-81-2

Similarity

N/A

ID: 815456

ethyl 2,6-dichloropyrimidine-4-carboxylate

$$$$

M. F.

C7H6Cl2N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37767

Database

Data ID

M. W.

221.04074

CAS

18127-43-0

Similarity

N/A

ID: 815457

2-hydroxy-5,6,7,8-tetrahydroquinolin-5-one

$$$$

M. F.

C9H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37768

Database

Data ID

M. W.

163.17326

CAS

15450-69-8

Similarity

N/A

ID: 815458

(1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl)boronic acid

$$$$

M. F.

C9H10BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37769

Database

Data ID

M. W.

190.9916

CAS

376584-81-5

Similarity

N/A

ID: 815459

tert-butyl (1S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

$$$$

M. F.

C12H22N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37774

Database

Data ID

M. W.

226.31528

CAS

174486-93-2

Similarity

N/A

ID: 815460

2-amino-3-chloro-5-(trifluoromethoxy)benzoic acid

$$$$

M. F.

C8H5ClF3NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37775

Database

Data ID

M. W.

255.5784096

CAS

433938-46-6

Similarity

N/A

ID: 815461

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine

$$$$

M. F.

C10H15N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37776

Database

Data ID

M. W.

193.2456

CAS

1036461-01-4

Similarity

N/A

ID: 815462

6-chloro-8-(propan-2-yl)-9H-purine

$$$$

M. F.

C8H9ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37777

Database

Data ID

M. W.

196.63686

CAS

92001-54-2

Similarity

N/A

ID: 815463

1-(propan-2-yl)pyrrolidin-3-amine hydrochloride

$$$$

M. F.

C7H17ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37778

Database

Data ID

M. W.

164.67628

CAS

19985-09-2

Similarity

N/A

ID: 815464

2-[(1-benzylpiperidin-4-yl)methyl]-5-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-on...

$$$$

M. F.

C23H28ClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37779

Database

Data ID

M. W.

401.92632

CAS

120013-57-2

Similarity

N/A

ID: 815465

6-fluoro-2-methylquinazolin-4-ol

$$$$

M. F.

C9H7FN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37780

Database

Data ID

M. W.

178.1630832

CAS

194473-04-6

Similarity

N/A

ID: 815466

methyl 2-(trifluoromethyl)pyrimidine-5-carboxylate

$$$$

M. F.

C7H5F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37785

Database

Data ID

M. W.

206.1220096

CAS

608517-17-5

Similarity

N/A

ID: 815467

2-bromo-5-phenylpyrazine

$$$$

M. F.

C10H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37788

Database

Data ID

M. W.

235.07998

CAS

243472-69-7

Similarity

N/A

ID: 815468

2-bromo-4-chloro-5-methylpyridine

$$$$

M. F.

C6H5BrClN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37789

Database

Data ID

M. W.

206.4676

CAS

1033203-40-5

Similarity

N/A

ID: 815469

2-bromo-4,5-dichloropyridine

$$$$

M. F.

C5H2BrCl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37791

Database

Data ID

M. W.

226.88608

CAS

1033203-42-7

Similarity

N/A

ID: 815470

5-nitropyridine-3-carbaldehyde

$$$$

M. F.

C6H4N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37792

Database

Data ID

M. W.

152.10756

CAS

87883-20-3

Similarity

N/A

ID: 815471

4,5-dichloropyridine-2-carboxylic acid

$$$$

M. F.

C6H3Cl2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37793

Database

Data ID

M. W.

191.99952

CAS

73455-13-7

Similarity

N/A

ID: 815472

(3-chloropyridin-4-yl)methanamine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37795

Database

Data ID

M. W.

142.58618

CAS

870063-65-3

Similarity

N/A

ID: 815473

(3-bromopyridin-4-yl)methanamine

$$$$

M. F.

C6H7BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37796

Database

Data ID

M. W.

187.03718

CAS

887581-41-1

Similarity

N/A

ID: 815474

[2-(trifluoromethyl)pyridin-4-yl]methanamine

$$$$

M. F.

C7H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37798

Database

Data ID

M. W.

176.1390896

CAS

916304-20-6

Similarity

N/A

ID: 815475

(5-chloropyridin-3-yl)methanamine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37799

Database

Data ID

M. W.

142.58618

CAS

138402-36-5

Similarity

N/A

ID: 815476

2,2-difluoro-2-phenylethan-1-amine

$$$$

M. F.

C8H9F2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37800

Database

Data ID

M. W.

157.1605664

CAS

55601-21-3

Similarity

N/A

ID: 815477

2-methyl-2-(pyridin-2-yl)propan-1-amine

$$$$

M. F.

C9H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37801

Database

Data ID

M. W.

150.22086

CAS

199296-39-4

Similarity

N/A

ID: 815478

[1-(pyridin-2-yl)cyclopropyl]methanamine

$$$$

M. F.

C9H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37802

Database

Data ID

M. W.

148.20498

CAS

812640-83-8

Similarity

N/A

ID: 815479

N-(2,2-dimethoxyethyl)acetamide

$$$$

M. F.

C6H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37803

Database

Data ID

M. W.

147.17232

CAS

62005-48-5

Similarity

N/A

ID: 815480

(4-chloro-6-phenylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C11H11Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37807

Database

Data ID

M. W.

256.13114

CAS

1240600-93-4

Similarity

N/A

ID: 815481

2-(aminomethyl)-6-methylpyrimidin-4-ol hydrochloride

$$$$

M. F.

C6H10ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37808

Database

Data ID

M. W.

175.6161

CAS

5993-95-3

Similarity

N/A

ID: 815482

2-(aminomethyl)pyrimidin-4-ol hydrochloride

$$$$

M. F.

C5H8ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37809

Database

Data ID

M. W.

161.58952

CAS

1196152-19-8

Similarity

N/A

ID: 815483

[4-(propan-2-yloxy)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C8H14ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37810

Database

Data ID

M. W.

203.66926

CAS

1196146-31-2

Similarity

N/A

ID: 815484

(4-methoxypyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C6H10ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37811

Database

Data ID

M. W.

175.6161

CAS

1196154-28-5

Similarity

N/A

ID: 815485

(4-methyl-6-phenylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C12H14ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37812

Database

Data ID

M. W.

235.71266

CAS

1196152-36-9

Similarity

N/A

ID: 815486

[4-methyl-6-(pyridin-2-yl)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C11H13ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37813

Database

Data ID

M. W.

236.70072

CAS

1240594-61-9

Similarity

N/A

ID: 815487

[4-(morpholin-4-yl)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C9H15ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37814

Database

Data ID

M. W.

230.6946

CAS

1196145-95-5

Similarity

N/A

ID: 815488

(4-phenoxypyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C11H12ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37815

Database

Data ID

M. W.

237.68548

CAS

1240601-00-6

Similarity

N/A

ID: 815489

(4-phenylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C11H12ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37816

Database

Data ID

M. W.

221.68608

CAS

1196147-12-2

Similarity

N/A

ID: 815490

[4-(pyridin-3-yl)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C10H11ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37817

Database

Data ID

M. W.

222.67414

CAS

1196155-27-7

Similarity

N/A

ID: 815491

[4-(tert-butoxy)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C9H16ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37818

Database

Data ID

M. W.

217.69584

CAS

1196146-51-6

Similarity

N/A

ID: 815492

(4-tert-butylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C9H16ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37819

Database

Data ID

M. W.

201.69644

CAS

1196152-32-5

Similarity

N/A

ID: 815493

2-(aminomethyl)pyrimidine-5-carbaldehyde hydrochloride

$$$$

M. F.

C6H8ClN3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37820

Database

Data ID

M. W.

173.60022

CAS

1196145-63-7

Similarity

N/A

ID: 815494

[5-(morpholin-4-yl)pyrimidin-2-yl]methanamine hydrochloride

$$$$

M. F.

C9H15ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37821

Database

Data ID

M. W.

230.6946

CAS

1196155-79-9

Similarity

N/A

ID: 815495

(5-nitropyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C5H7ClN4O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37822

Database

Data ID

M. W.

190.58768

CAS

1196155-71-1

Similarity

N/A

ID: 815496

(5-propylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C8H14ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37824

Database

Data ID

M. W.

187.66986

CAS

1196145-36-4

Similarity

N/A

ID: 815497

N-{[2-(aminomethyl)pyrimidin-5-yl]methyl}acetamide hydrochloride

$$$$

M. F.

C8H13ClN4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37825

Database

Data ID

M. W.

216.66802

CAS

1196153-10-2

Similarity

N/A

ID: 815498

1-(4,6-di-tert-butylpyrimidin-2-yl)ethan-1-amine hydrochloride

$$$$

M. F.

C14H26ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37826

Database

Data ID

M. W.

271.82934

CAS

1196155-13-1

Similarity

N/A

ID: 815499

1-(4,6-dichloropyrimidin-2-yl)ethan-1-amine hydrochloride

$$$$

M. F.

C6H8Cl3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37827

Database

Data ID

M. W.

228.50682

CAS

1196153-67-9

Similarity

N/A

ID: 815500

1-(4-phenylpyrimidin-2-yl)ethan-1-amine hydrochloride

$$$$

M. F.

C12H14ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37828

Database

Data ID

M. W.

235.71266

CAS

1196154-70-7

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