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88875-30-3 | Imidazo[1,5-a]pyrimidin-2(1H)-one, 4-methyl-6-phenyl-
CAS No: 88875-30-3 Catalog No: AG0049JY MDL No:
Product Description
Catalog Number:
AG0049JY
Chemical Name:
Imidazo[1,5-a]pyrimidin-2(1H)-one, 4-methyl-6-phenyl-
CAS Number:
88875-30-3
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
4-methyl-6-phenyl-1H-imidazo[1,5-a]pyrimidin-2-one
InChI:
InChI=1S/C13H11N3O/c1-9-7-12(17)15-11-8-14-13(16(9)11)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
InChI Key:
ILCOKMDEZZAZJO-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n2c([nH]1)cnc2c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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