Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H10N2O2

Suppliers	Catalog Number
TRC	D416254

Database	Data ID
PubChem	71315885

M. W.

118.1344

CAS

Similarity

N/A

ID: 166802

2,5-diamino-6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

$$$$ Data

M. F.

C5H5N5OS

Suppliers	Catalog Number
TRC	D416255

Database	Data ID
PubChem	152442

M. W.

183.1911

CAS

22288-77-3

Similarity

N/A

ID: 166803

platinum(2+) ion diamine diiodide

$$$$ Data

M. F.

I2N2Pt

Suppliers	Catalog Number
TRC	D416260

Database	Data ID
PubChem	85220

M. W.

476.90034

CAS

13841-96-8

Similarity

N/A

ID: 166804

platinum(4+) ion diazanide dinitrite

$$$$ Data

M. F.

H4N4O4Pt

Suppliers	Catalog Number
TRC	D416263

Database	Data ID
PubChem	71315886

M. W.

319.13416

CAS

41575-87-5

Similarity

N/A

ID: 166805

4,5-diethoxybenzene-1,2-diamine hydrochloride

$$$$ Data

M. F.

C10H17ClN2O2

Suppliers	Catalog Number
TRC	D416265

Database	Data ID
PubChem	71315887

M. W.

232.70718

CAS

Similarity

N/A

ID: 166806

4,5-dimethoxybenzene-1,2-diamine

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
TRC	D416270
Enamine	EN300-51468
A&J Pharmtech	AJA-O2027

Database	Data ID
PubChem	152939

M. W.

168.19308

CAS

131076-14-7

Similarity

N/A

ID: 166807

bis(propan-2-yl)pteridine-2,4-diamine; phosphoperoxol

$$$$ Data

M. F.

C12H19N6O4P

Suppliers	Catalog Number
TRC	D416285

Database	Data ID
PubChem	71315888

M. W.

342.290821

CAS

84176-65-8

Similarity

N/A

ID: 166808

bis[(1,1,1,3,3,3-²H₆)propan-2-yl]pteridine-2,4-diamine; ph...

$$$$ Data

M. F.

C12H19N6O4P

Suppliers	Catalog Number
TRC	D416287

Database	Data ID
PubChem	71315889

M. W.

342.290821

CAS

Similarity

N/A

ID: 166809

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

$$$$ Data

M. F.

C6H10N4O2

Suppliers	Catalog Number
TRC	D416290
Enamine	EN300-26262

Database	Data ID
PubChem	79501

M. W.

170.1692

CAS

5440-00-6

Similarity

N/A

ID: 166810

2,3-dihydro-1,4-benzodioxine-5,6-diamine

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
TRC	D416310

Database	Data ID
PubChem	4390463

M. W.

166.1772

CAS

320386-55-8

Similarity

N/A

ID: 166811

2,3-dihydro-1,4-benzodioxine-6,7-diamine

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
TRC	D416320
Enamine	EN300-24352

Database	Data ID
PubChem	133794

M. W.

166.1772

CAS

73448-02-9

Similarity

N/A

ID: 166812

2,2-difluoro-2H-1,3-benzodioxole-5,6-diamine

$$$$ Data

M. F.

C7H6F2N2O2

Suppliers	Catalog Number
TRC	D416330

Database	Data ID
PubChem	3417861

M. W.

188.1315464

CAS

97966-69-3

Similarity

N/A

ID: 166813

5,6-diamino-1,2,3,4-tetrahydro(4,5-¹³C₂)pyrimid...

$$$$ Data

M. F.

C4H7ClN4O2

Suppliers	Catalog Number
TRC	D416336

Database	Data ID
PubChem	71315891

M. W.

180.56228968

CAS

Similarity

N/A

ID: 166814

(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol

$$$$ Data

M. F.

C18H24N2O

Suppliers	Catalog Number
TRC	D416345

Database	Data ID
PubChem	10085299

M. W.

284.39596

CAS

156769-85-6

Similarity

N/A

ID: 166815

2,6-diamino-5-(2-phenyldiazen-1-yl)pyridin-3-ol

$$$$ Data

M. F.

C11H11N5O

Suppliers	Catalog Number
TRC	D416348

Database	Data ID
PubChem	5487719

M. W.

229.23794

CAS

86271-56-9

Similarity

N/A

ID: 166816

2,6-diamino-1,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C4H6N4O

Suppliers	Catalog Number
TRC	D416353
Bide Pharmatech	BD2314

Database	Data ID
PubChem	2944

M. W.

126.11664

CAS

56-06-4

Similarity

N/A

ID: 166817

2,6-diaminopyrimidin-4-ol; sulfuric acid

$$$$ Data

M. F.

C4H8N4O5S

Suppliers	Catalog Number
TRC	D416355

Database	Data ID
PubChem	94066

M. W.

224.19512

CAS

58470-85-2

Similarity

N/A

ID: 166818

[(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)sulfanyl]formonitrile

$$$$ Data

M. F.

C5H5N5OS

Suppliers	Catalog Number
TRC	D416357

Database	Data ID
PubChem	12676689

M. W.

183.1911

CAS

22288-75-1

Similarity

N/A

ID: 166819

1H-indazole-5,6-diamine

$$$$ Data

M. F.

C7H8N4

Suppliers	Catalog Number
TRC	D416360

Database	Data ID
PubChem	81900

M. W.

148.16522

CAS

7404-68-4

Similarity

N/A

ID: 166820

5,6-diamino-3-methyl-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C9H16N4O2

Suppliers	Catalog Number
TRC	D416365

Database	Data ID
PubChem	4110339

M. W.

212.24894

CAS

78033-18-8

Similarity

N/A

ID: 166821

4-methoxypyridine-2,3-diamine

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
TRC	D416366

Database	Data ID
PubChem	10214395

M. W.

139.15516

CAS

Similarity

N/A

ID: 166822

3-({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methanesulfinyl)-N-sulfamoylp...

$$$$ Data

M. F.

C8H14N6O4S3

Suppliers	Catalog Number
TRC	D416367

Database	Data ID
PubChem	3661696

M. W.

354.42956

CAS

1020719-36-1

Similarity

N/A

ID: 166823

(Z)-3-({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methanesulfinyl)-N'-sulfa...

$$$$ Data

M. F.

C8H15N7O3S3

Suppliers	Catalog Number
TRC	D416368

Database	Data ID
PubChem	13949559

M. W.

353.4448

CAS

90237-03-9

Similarity

N/A

ID: 166824

3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N-sulfamoyl...

$$$$ Data

M. F.

C8H15ClN6O3S3

Suppliers	Catalog Number
TRC	D416369

Database	Data ID
PubChem	12790768

M. W.

374.8911

CAS

76824-17-4

Similarity

N/A

ID: 166825

2-(4-{[(2-cyanoethyl)sulfanyl]methyl}(2,4-¹³C₂)...

$$$$ Data

M. F.

C8H11N5S2

Suppliers	Catalog Number
TRC	D416373

Database	Data ID
PubChem	45038936

M. W.

244.31440451

CAS

1185040-73-6

Similarity

N/A

ID: 166826

5,6-diamino-3-methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C6H10N4OS

Suppliers	Catalog Number
TRC	D416374

Database	Data ID
PubChem	181605

M. W.

186.2348

CAS

39008-28-1

Similarity

N/A

ID: 166827

6-methylpyrimidine-4,5-diamine

$$$$ Data

M. F.

C5H8N4

Suppliers	Catalog Number
TRC	D416375

Database	Data ID
PubChem	275296

M. W.

124.14382

CAS

22715-28-2

Similarity

N/A

ID: 166828

5,6-diamino-1,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C4H6N4O

Suppliers	Catalog Number
TRC	D416380
Bide Pharmatech	BD41361

Database	Data ID
PubChem	74287

M. W.

126.11664

CAS

1672-50-0

Similarity

N/A

ID: 166829

5,6-diamino-1,4-dihydro(6-¹³C)pyrimidin-4-one

$$$$ Data

M. F.

C4H6N4O

Suppliers	Catalog Number
TRC	D416382

Database	Data ID
PubChem	71315893

M. W.

128.10270374

CAS

Similarity

N/A

ID: 166830

5,6-diamino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione; methane

$$$$ Data

M. F.

C6H12N4O2

Suppliers	Catalog Number
TRC	D416385

Database	Data ID
PubChem	71315894

M. W.

172.18508

CAS

Similarity

N/A

ID: 166831

5,6-diamino-3-(²H₃)methyl-1,2,3,4-tetrahydropyrimidine-2,4...

$$$$ Data

M. F.

C5H8N4O2

Suppliers	Catalog Number
TRC	D416387

Database	Data ID
PubChem	71315895

M. W.

156.14262

CAS

Similarity

N/A

ID: 166832

5,6-diamino-1,2,3,4-tetrahydro(4,5-¹³C₂)pyrimid...

$$$$ Data

M. F.

C4H8N4O5S

Suppliers	Catalog Number
TRC	D416392

Database	Data ID
PubChem	71315896

M. W.

226.18042968

CAS

Similarity

N/A

ID: 166833

naphthalene-1,2-diamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
TRC	D416400 D416401

Database	Data ID
PubChem	13648

M. W.

158.1998

CAS

938-25-0

Similarity

N/A

ID: 166834

(²H₆)naphthalene-1,5-diamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
TRC	D416417

Database	Data ID
PubChem	71315897

M. W.

158.1998

CAS

Similarity

N/A

ID: 166835

5,6-diaminonaphthalene-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C10H12ClN3O2S

Suppliers	Catalog Number
TRC	D416450

Database	Data ID
PubChem	16640791

M. W.

273.73918

CAS

1049752-75-1

Similarity

N/A

ID: 166836

6,7-diamino-1,2,3,4-tetrahydroquinoxaline-2,3-dione

$$$$ Data

M. F.

C8H8N4O2

Suppliers	Catalog Number
TRC	D416800

Database	Data ID
PubChem	381320

M. W.

192.17472

CAS

17498-26-9

Similarity

N/A

ID: 166837

5-(3,4-diaminothiophen-2-yl)pentanoic acid

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
TRC	D416805

Database	Data ID
PubChem	71315898

M. W.

214.28466

CAS

Similarity

N/A

ID: 166838

4-(²H₃)methyl(²H₃)benzene-1,2-diamin...

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
TRC	D416812

Database	Data ID
PubChem	71315899

M. W.

122.1677

CAS

Similarity

N/A

ID: 166839

5,6-diamino-2-sulfanylidene-1,2,3,4-tetrahydro(6-¹³C)pyrim...

$$$$ Data

M. F.

C4H6N4OS

Suppliers	Catalog Number
TRC	D416817

Database	Data ID
PubChem	71315900

M. W.

160.16770374

CAS

Similarity

N/A

ID: 166840

3,5-diamino-2,4,6-triiodobenzoic acid

$$$$ Data

M. F.

C7H5I3N2O2

Suppliers	Catalog Number
TRC	D416820

Database	Data ID
PubChem	21680

M. W.

529.84021

CAS

5505-16-8

Similarity

N/A

ID: 166841

3-(²H₃)methylbenzene-1,2-diamine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
TRC	D416827

Database	Data ID
PubChem	71315901

M. W.

122.1677

CAS

Similarity

N/A

ID: 166842

5,6-diamino-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-2-one

$$$$ Data

M. F.

C4H6N4OS

Suppliers	Catalog Number
TRC	D416845

Database	Data ID
PubChem	16640892

M. W.

158.18164

CAS

40848-33-7

Similarity

N/A

ID: 166843

5,6-diamino-4-sulfanylidene-1,2,3,4-tetrahydro(4,5-¹³C

$$$$ Data

M. F.

C4H6N4OS

Suppliers	Catalog Number
TRC	D416847

Database	Data ID
PubChem	71315902

M. W.

160.16694968

CAS

Similarity

N/A

ID: 166844

methane; thiophene-3,4-diamine

$$$$ Data

M. F.

C5H10N2S

Suppliers	Catalog Number
TRC	D416850

Database	Data ID
PubChem	71315903

M. W.

130.2113

CAS

90069-81-1

Similarity

N/A

ID: 166845

7-chloro-1-(¹³C,²H₃)methyl-5-phenyl-...

$$$$ Data

M. F.

C16H13ClN2O

Suppliers	Catalog Number
TRC	D416857

Database	Data ID
PubChem	71315904

M. W.

285.73287484

CAS

Similarity

N/A

ID: 166846

7-chloro-1-methyl-5-(²H₅)phenyl-2,3-dihydro-1H-1,4-benzodi...

$$$$ Data

M. F.

C16H13ClN2O

Suppliers	Catalog Number
TRC	D416858

Database	Data ID
PubChem	45358967

M. W.

284.74022

CAS

65854-76-4

Similarity

N/A

ID: 166847

nitrosodipentylamine

$$$$ Data

M. F.

C10H22N2O

Suppliers	Catalog Number
TRC	D416864

Database	Data ID
PubChem	252237

M. W.

186.29448

CAS

13256-06-9

Similarity

N/A

ID: 166848

(1R,2S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.0²,⁴]und...

$$$$ Data

M. F.

C13H14O4

Suppliers	Catalog Number
TRC	D416868

Database	Data ID
PubChem	45038940

M. W.

234.24786

CAS

109428-30-0

Similarity

N/A

ID: 166849

bis(4-methoxyphenyl)iodanium trifluoroborane fluoride

$$$$ Data

M. F.

C14H14BF4IO2

Suppliers	Catalog Number
TRC	D416870

Database	Data ID
PubChem	71315905

M. W.

427.9688428

CAS

1426-58-0

Similarity

N/A

ID: 166850

(4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
TRC	D416871
Enamine	EN300-84574

Database	Data ID
PubChem	10313138

M. W.

126.19946

CAS

151213-40-0

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