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Home > Imidazoles > 888314-62-3
888314-62-3 | 4-Pyrimidinecarbonitrile,2-(1H-imidazol-1-yl)-6-methyl-
CAS No: 888314-62-3 Catalog No: AG004C18 MDL No:
Product Description
Catalog Number:
AG004C18
Chemical Name:
4-Pyrimidinecarbonitrile,2-(1H-imidazol-1-yl)-6-methyl-
CAS Number:
888314-62-3
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
IUPAC Name:
2-imidazol-1-yl-6-methylpyrimidine-4-carbonitrile
InChI:
InChI=1S/C9H7N5/c1-7-4-8(5-10)13-9(12-7)14-3-2-11-6-14/h2-4,6H,1H3
InChI Key:
PMEVTUMKXSSDDH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)nc(n1)n1cncc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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