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101987-45-5 | 2-Pyrimidinamine, N-methyl-N-phenyl-4-(4-pyridinyl)-
CAS No: 101987-45-5 Catalog No: AG00065Y MDL No:
Product Description
Catalog Number:
AG00065Y
Chemical Name:
2-Pyrimidinamine, N-methyl-N-phenyl-4-(4-pyridinyl)-
CAS Number:
101987-45-5
Molecular Formula:
C16H14N4
Molecular Weight:
262.3092
IUPAC Name:
N-methyl-N-phenyl-4-pyridin-4-ylpyrimidin-2-amine
InChI:
InChI=1S/C16H14N4/c1-20(14-5-3-2-4-6-14)16-18-12-9-15(19-16)13-7-10-17-11-8-13/h2-12H,1H3
InChI Key:
DHVGVGZBNLGJSK-UHFFFAOYSA-N
SMILES:
CN(c1nccc(n1)c1ccncc1)c1ccccc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.316g/mol
Monoisotopic Mass:
262.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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