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79899-02-8 | Imidazo[1,5-a]pyrimidin-4(1H)-one, 2-methyl-6-(1-methylethyl)-
CAS No: 79899-02-8 Catalog No: AG008KWQ MDL No:
Product Description
Catalog Number:
AG008KWQ
Chemical Name:
Imidazo[1,5-a]pyrimidin-4(1H)-one, 2-methyl-6-(1-methylethyl)-
CAS Number:
79899-02-8
Molecular Formula:
C10H13N3O
Molecular Weight:
191.2297
IUPAC Name:
2-methyl-6-propan-2-yl-1H-imidazo[1,5-a]pyrimidin-4-one
InChI:
InChI=1S/C10H13N3O/c1-6(2)10-11-5-8-12-7(3)4-9(14)13(8)10/h4-6,12H,1-3H3
InChI Key:
RPHFWQMNKTZEPF-UHFFFAOYSA-N
SMILES:
CC(c1ncc2n1c(=O)cc([nH]2)C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.234g/mol
Monoisotopic Mass:
191.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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