CAS 156-83-2 | 2,4-Pyrimidinediamine, 6-chloro- | CAS Number 156-83-2

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156-83-2 | 2,4-Pyrimidinediamine, 6-chloro-

CAS No: 156-83-2 Catalog No: AG001OEX MDL No:MFCD00006097

Product Description

Catalog Number:

AG001OEX

Chemical Name:

2,4-Pyrimidinediamine, 6-chloro-

CAS Number:

156-83-2

Molecular Formula:

C4H5ClN4

Molecular Weight:

144.5623

MDL Number:

MFCD00006097

IUPAC Name:

6-chloropyrimidine-2,4-diamine

InChI:

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

InChI Key:

QJIUMVUZDYPQRT-UHFFFAOYSA-N

SMILES:

Nc1cc(Cl)nc(n1)N

EC Number:

205-863-9

NSC Number:

8818

Properties

Complexity:

98.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

144.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

144.562g/mol

Monoisotopic Mass:

144.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and anti-influenza virus activity of novel pyrimidine derivatives.	Antiviral research 19990601
Purification and Characterization of an Inducible s-Triazine Hydrolase from Rhodococcus corallinus NRRL B-15444R.	Applied and environmental microbiology 19940201