CAS 5305-59-9|4-Amino-6-chloropyrimidine|6-Chloropyrimidin-4-amine|6-chloropyrimidin-4-amine|6-chloropyrimidin-4-amine|6-Chloropyrimidin-4-ylamine|6-Amino-4-chloropyrimidine|4-Amino-6-chloropyrimidi...

General Information

Structure

Molecular Formula

C₄H₄ClN₃

Molecular Mass

129.54766

Exact Mass

129.00937482

Charge

InChI

InChI=1S/C4H4ClN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)

InChIKey

DUKKRSPKJMHASP-UHFFFAOYSA-N

Canonic Smiles

Nc1ncnc(c1)Cl

Isomeric Smiles

n1c(cc(nc1)Cl)N

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.63737667

LogD (pH = 7.4)

0.63946223

Log P

0.6394889

Molar Refractivity

33.6023

Polarizability

11.6806755

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Amino-6-chloropyrimidine6-Chloropyrimidin-4-amine6-Chloropyrimidin-4-ylamine6-Amino-4-chloropyrimidine4-Amino-6-chloropyrimidine6-Chloro-pyrimidin-4-ylamineNSC 421346-Chloro-4-pyrimidinamine6-chloropyrimidin-4-amine6-Amino-4-chloropyrimidine4-氨基-6-氯嘧啶

IUPAC Traditional name

6-chloropyrimidin-4-amine

IUPAC name

6-chloropyrimidin-4-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00053576

CAS Number

5305-59-9

PubChem SID

160975014