Name: Name:Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-
Brand: Angene
SKU: AG001BQI
Rating: 90 (10 reviews)

Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-

CAS No.:

1398507-08-8

Catalog Number:

AG001BQI

Molecular Formula:

C11H8ClN5

Molecular Weight:

245.6677

Catalog Number:

AG001BQI

Chemical Name:

Benzonitrile, 4-[(4-amino-6-chloro-2-pyrimidinyl)amino]-

CAS Number:

1398507-08-8

Molecular Formula:

C11H8ClN5

Molecular Weight:

245.6677

MDL Number:

MFCD11111436

IUPAC Name:

4-[(4-amino-6-chloropyrimidin-2-yl)amino]benzonitrile

InChI:

InChI=1S/C11H8ClN5/c12-9-5-10(14)17-11(16-9)15-8-3-1-7(6-13)2-4-8/h1-5H,(H3,14,15,16,17)

InChI Key:

WIFUACDBVMFQGM-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)Nc1nc(N)cc(n1)Cl

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.67g/mol

Monoisotopic Mass:

245.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4