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156309-07-8 | 2-Pyrimidinecarboxamide, 1,4,5,6-tetrahydro-N-phenyl-
CAS No: 156309-07-8 Catalog No: AG001ONM MDL No:
Product Description
Catalog Number:
AG001ONM
Chemical Name:
2-Pyrimidinecarboxamide, 1,4,5,6-tetrahydro-N-phenyl-
CAS Number:
156309-07-8
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
IUPAC Name:
N-phenyl-1,4,5,6-tetrahydropyrimidine-2-carboxamide
InChI:
InChI=1S/C11H13N3O/c15-11(10-12-7-4-8-13-10)14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChI Key:
CKLGZFAZRZPYOR-UHFFFAOYSA-N
SMILES:
O=C(C1=NCCCN1)Nc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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