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85690-55-7 | 5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-4-phenyl-
CAS No: 85690-55-7 Catalog No: AG004ZRX MDL No:
Product Description
Catalog Number:
AG004ZRX
Chemical Name:
5-Pyrimidinecarbonitrile, 6-amino-1,2-dihydro-2-oxo-4-phenyl-
CAS Number:
85690-55-7
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
IUPAC Name:
4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
InChI:
InChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(16)15-10(8)13/h1-5H,(H3,13,14,15,16)
InChI Key:
RGDOITBMSUVDTL-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]c(=O)nc1c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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