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16879-57-5 | 4(3H)-Pyrimidinone, 6-methyl-2-(3-pyridinyl)-
CAS No: 16879-57-5 Catalog No: AG001YAW MDL No:MFCD10686883
Product Description
Catalog Number:
AG001YAW
Chemical Name:
4(3H)-Pyrimidinone, 6-methyl-2-(3-pyridinyl)-
CAS Number:
16879-57-5
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD10686883
IUPAC Name:
4-methyl-2-pyridin-3-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C10H9N3O/c1-7-5-9(14)13-10(12-7)8-3-2-4-11-6-8/h2-6H,1H3,(H,12,13,14)
InChI Key:
XCFHAJVBGFMEBM-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]c(n1)c1cccnc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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