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876-96-0 | 5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-N-methyl-2,4-dioxo-
CAS No: 876-96-0 Catalog No: AG004GM1 MDL No:
Product Description
Catalog Number:
AG004GM1
Chemical Name:
5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-N-methyl-2,4-dioxo-
CAS Number:
876-96-0
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
IUPAC Name:
N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
InChI:
InChI=1S/C6H7N3O3/c1-7-4(10)3-2-8-6(12)9-5(3)11/h2H,1H3,(H,7,10)(H2,8,9,11,12)
InChI Key:
XCXOWNJENHBRDI-UHFFFAOYSA-N
SMILES:
CNC(=O)c1c[nH]c(=O)[nH]c1=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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