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Home > Pyridines > 204394-40-1
204394-40-1 | 4(1H)-Pyrimidinone, 5,6-dimethyl-2-(4-pyridinyl)-
CAS No: 204394-40-1 Catalog No: AG00I3V3 MDL No:MFCD00269288
Product Description
Catalog Number:
AG00I3V3
Chemical Name:
4(1H)-Pyrimidinone, 5,6-dimethyl-2-(4-pyridinyl)-
CAS Number:
204394-40-1
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD00269288
IUPAC Name:
4,5-dimethyl-2-pyridin-4-yl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H11N3O/c1-7-8(2)13-10(14-11(7)15)9-3-5-12-6-4-9/h3-6H,1-2H3,(H,13,14,15)
InChI Key:
PPZAKRZBCPGCMZ-UHFFFAOYSA-N
SMILES:
Cc1nc(nc(c1C)O)c1ccncc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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