CAS 4316-98-7|6-chloropyrimidine-4,5-diamine|6-chloropyrimidine-4,5-diamine|4-Amino-6-chloropyrimidin-5-ylamine|6-Chloro-pyrimidine-4,5-diamine|6-Chloro-4,5-diaminopyrimidine|6-Chloropyrimidine-4,5-...

General Information

Structure

Molecular Formula

C₄H₅ClN₄

Molecular Mass

144.5623

Exact Mass

144.02027386

Charge

InChI

InChI=1S/C4H5ClN4/c5-3-2(6)4(7)9-1-8-3/h1H,6H2,(H2,7,8,9)

InChIKey

VNSFICAUILKARD-UHFFFAOYSA-N

Canonic Smiles

Nc1c(N)ncnc1Cl

Isomeric Smiles

c1(c(c(ncn1)N)N)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.19192447

LogD (pH = 7.4)

-0.18946847

Log P

-0.18943706

Molar Refractivity

38.3027

Polarizability

12.856253

Polar Surface Area

77.82

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

6-chloropyrimidine-4,5-diamine

IUPAC Traditional name

6-chloropyrimidine-4,5-diamine

Synonyms

4-Amino-6-chloropyrimidin-5-ylamine6-Chloro-pyrimidine-4,5-diamine6-Chloro-4,5-diaminopyrimidine6-Chloropyrimidine-4,5-diamine4-Chloropyrimidine-5,6-diamine4,5-Diamino-6-chloropyrimidine6-Chloro-4,5-pyrimidinediamine5,6-Diamino-4-chloropyrimidineNSC 369076-CHLOROPYRIMIDINE-4,5-DIAMINE

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties