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823795-59-1 | 5-Pyrimidinecarbonitrile, 4-(dimethylamino)-2-phenyl-
CAS No: 823795-59-1 Catalog No: AG004Y8V MDL No:
Product Description
Catalog Number:
AG004Y8V
Chemical Name:
5-Pyrimidinecarbonitrile, 4-(dimethylamino)-2-phenyl-
CAS Number:
823795-59-1
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
4-(dimethylamino)-2-phenylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C13H12N4/c1-17(2)13-11(8-14)9-15-12(16-13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChI Key:
YBYXXTIYMBEFAO-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1N(C)C)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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