CAS 156-83-2|6-Chloropyrimidine-2,4-diamine|6-chloropyrimidine-2,4-diamine|4-Chloro-2,6-diaminopyrimidine|6-chloropyrimidine-2,4-diamine|4-氯-2,6-二氨基嘧啶|2,6-Diamino-4-chloropyrimidine|2,6-二氨基...

General Information

Structure

Molecular Formula

C₄H₅ClN₄

Molecular Mass

144.5623

Exact Mass

144.02027386

Charge

InChI

InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)

InChIKey

QJIUMVUZDYPQRT-UHFFFAOYSA-N

Canonic Smiles

Nc1cc(Cl)nc(n1)N

Isomeric Smiles

n1c(nc(cc1N)Cl)N

Calculated Properties

JChem

Acid pKa

16.427282

H Acceptors

H Donor

LogD (pH = 5.5)

0.27436975

LogD (pH = 7.4)

0.4858375

Log P

0.48934895

Molar Refractivity

38.2487

Polarizability

12.851467

Polar Surface Area

77.82

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

6-Chloropyrimidine-2,4-diamine4-Chloro-2,6-diaminopyrimidine4-氯-2,6-二氨基嘧啶2,6-Diamino-4-chloropyrimidine2,6-二氨基-4-氯嘧啶4-Chloro-2,6-diaminopyrimidineNSC 88186-Chloro-pyrimidine-2,4-diyldiamine, 4-Chloro-2,6-diaminopyrimidine6-Chloro-pyrimidine-2,4-diamine2,4-DIAMINO-6-CHLOROPYRIMIDINE6-chloropyrimidine-2,4-diamine4-氯-2,6-二氨基嘧啶2,4-Diamino-6-chloropyrimidine4-Chloro-2,6-pyrimidinediamine

IUPAC name

6-chloropyrimidine-2,4-diamine

IUPAC Traditional name

6-chloropyrimidine-2,4-diamine

Names and Identifiers

Registration numbers

PubChem CID

67432

MDL Number

MFCD00006097

PubChem SID

16204436324892606