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Home > Pyridines > 303148-45-0
303148-45-0 | 6-methyl-4-oxo-1-[(pyridin-4-yl)methyl]-1,4-dihydropyrimidine-5-carbonitrile
CAS No: 303148-45-0 Catalog No: AG00IUSP MDL No:MFCD00663799
Product Description
Catalog Number:
AG00IUSP
Chemical Name:
6-methyl-4-oxo-1-[(pyridin-4-yl)methyl]-1,4-dihydropyrimidine-5-carbonitrile
CAS Number:
303148-45-0
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
MDL Number:
MFCD00663799
IUPAC Name:
6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H10N4O/c1-9-11(6-13)12(17)15-8-16(9)7-10-2-4-14-5-3-10/h2-5,8H,7H2,1H3
InChI Key:
VAJQBFPPDCVVAJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)ncn(c1C)Cc1ccncc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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