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1216665-49-4 | 2,4-Pyrimidinediamine, N2-1H-benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-
CAS No: 1216665-49-4 Catalog No: AG0015J5 MDL No:
Product Description
Catalog Number:
AG0015J5
Chemical Name:
2,4-Pyrimidinediamine, N2-1H-benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-
CAS Number:
1216665-49-4
Molecular Formula:
C17H16N8
Molecular Weight:
332.3625
IUPAC Name:
2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
InChI Key:
WJNBSTLIALIIEW-UHFFFAOYSA-N
SMILES:
c1cc(nc(n1)Nc1ccc2c(c1)[nH]cn2)Nc1n[nH]c(c1)C1CC1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
332.371g/mol
Monoisotopic Mass:
332.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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