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823796-07-2 | 5-Pyrimidinecarbonitrile, 2-phenyl-4-(1-piperidinyl)-
CAS No: 823796-07-2 Catalog No: AG004Y8S MDL No:
Product Description
Catalog Number:
AG004Y8S
Chemical Name:
5-Pyrimidinecarbonitrile, 2-phenyl-4-(1-piperidinyl)-
CAS Number:
823796-07-2
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
IUPAC Name:
2-phenyl-4-piperidin-1-ylpyrimidine-5-carbonitrile
InChI:
InChI=1S/C16H16N4/c17-11-14-12-18-15(13-7-3-1-4-8-13)19-16(14)20-9-5-2-6-10-20/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
ZZJHFEIGQYJVEI-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(nc1N1CCCCC1)c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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