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823795-21-7 | 5-Pyrimidinecarboxamide, 4-(dimethylamino)-2-phenyl-
CAS No: 823795-21-7 Catalog No: AG005D6A MDL No:
Product Description
Catalog Number:
AG005D6A
Chemical Name:
5-Pyrimidinecarboxamide, 4-(dimethylamino)-2-phenyl-
CAS Number:
823795-21-7
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
4-(dimethylamino)-2-phenylpyrimidine-5-carboxamide
InChI:
InChI=1S/C13H14N4O/c1-17(2)13-10(11(14)18)8-15-12(16-13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,18)
InChI Key:
QJOLBJHVGFQHHV-UHFFFAOYSA-N
SMILES:
CN(c1nc(ncc1C(=O)N)c1ccccc1)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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