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79899-01-7

79899-01-7 | Imidazo[1,5-a]pyrimidin-4(1H)-one, 2,6-dimethyl-

CAS No: 79899-01-7 Catalog No: AG005F9Z MDL No:

Product Description

Catalog Number:
AG005F9Z
Chemical Name:
Imidazo[1,5-a]pyrimidin-4(1H)-one, 2,6-dimethyl-
CAS Number:
79899-01-7
Molecular Formula:
C8H9N3O
Molecular Weight:
163.1766
IUPAC Name:
2,6-dimethyl-1H-imidazo[1,5-a]pyrimidin-4-one
InChI:
InChI=1S/C8H9N3O/c1-5-3-8(12)11-6(2)9-4-7(11)10-5/h3-4,10H,1-2H3
InChI Key:
OKOPZHFAEYMBLW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c([nH]1)cnc2C

Properties

Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.18g/mol
Monoisotopic Mass:
163.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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