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Home > Imidazoles > 888313-52-8
888313-52-8 | Ethanone, 1-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-
CAS No: 888313-52-8 Catalog No: AG008AT5 MDL No:
Product Description
Catalog Number:
AG008AT5
Chemical Name:
Ethanone, 1-[2-(1H-imidazol-1-yl)-6-methyl-4-pyrimidinyl]-
CAS Number:
888313-52-8
Molecular Formula:
C10H10N4O
Molecular Weight:
202.2126
IUPAC Name:
1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethanone
InChI:
InChI=1S/C10H10N4O/c1-7-5-9(8(2)15)13-10(12-7)14-4-3-11-6-14/h3-6H,1-2H3
InChI Key:
UUOINQWQJBVQTM-UHFFFAOYSA-N
SMILES:
Cc1cc(nc(n1)n1cncc1)C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.217g/mol
Monoisotopic Mass:
202.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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