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1260843-73-9 | 5-Pyrimidinecarboxamide, 2-chloro-4-(methylamino)-N-(phenylmethyl)-
CAS No: 1260843-73-9 Catalog No: AG000RFO MDL No:
Product Description
Catalog Number:
AG000RFO
Chemical Name:
5-Pyrimidinecarboxamide, 2-chloro-4-(methylamino)-N-(phenylmethyl)-
CAS Number:
1260843-73-9
Molecular Formula:
C13H13ClN4O
Molecular Weight:
276.7215
IUPAC Name:
N-benzyl-2-chloro-4-(methylamino)pyrimidine-5-carboxamide
InChI:
InChI=1S/C13H13ClN4O/c1-15-11-10(8-17-13(14)18-11)12(19)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,19)(H,15,17,18)
InChI Key:
KBYJIQCUCWBWMQ-UHFFFAOYSA-N
SMILES:
CNc1nc(Cl)ncc1C(=O)NCc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.724g/mol
Monoisotopic Mass:
276.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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