CAS 10310-21-1|6-chloro-9H-purin-2-amine|6-chloro-9H-purin-2-amine|2-Amino-6-chloropurine|6-chloro-9H-purin-2-amine|2-Amino-6-chloropurine|6-CHLOROGUANINE|2-Amino-6-chloropurine|6-氯鸟嘌呤|6-Chlorog...

General Information

Structure

Molecular Formula

C₅H₄ClN₅

Molecular Mass

169.57176

Exact Mass

169.01552283

Charge

InChI

InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)

InChIKey

RYYIULNRIVUMTQ-UHFFFAOYSA-N

Canonic Smiles

Nc1nc(Cl)c2c(n1)[nH]cn2

Isomeric Smiles

c12c(nc(nc1Cl)N)[nH]cn2

Calculated Properties

JChem

Acid pKa

10.120337

H Acceptors

H Donor

LogD (pH = 5.5)

0.3349706

LogD (pH = 7.4)

0.33433697

Log P

0.33508012

Molar Refractivity

43.7181

Polarizability

15.37451

Polar Surface Area

80.48

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

6-chloro-9H-purin-2-amine 6-chloro-7H-purin-2-amine

IUPAC name

6-chloro-9H-purin-2-amine 6-chloro-7H-purin-2-amine

Synonyms

2-Amino-6-chloropurine6-chloro-9H-purin-2-amine2-Amino-6-chloropurine6-CHLOROGUANINE2-Amino-6-chloropurine6-氯鸟嘌呤6-Chloroguanine2-氨基-6-氯嘌呤6-Chloro-9H-purin-2-amine2-Amino-6-chloro-9H-purine 99%6-Chloroguanine, 6-Chloro-2-aminopurine6-chloro-7H-purin-2-amine 2-Amino-6-chloropurine

Names and Identifiers

Registration numbers

CAS Number

10310-21-1

MDL Number

MFCD00075252MFCD00005567

Beilstein Number

9626

PubChem SID

2486105116097840124846937

EC Number

233-686-7