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1078-16-6 | 2,6-dimethyl-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS No: 1078-16-6 Catalog No: AG01BECQ MDL No:MFCD24589759
Product Description
Catalog Number:
AG01BECQ
Chemical Name:
2,6-dimethyl-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CAS Number:
1078-16-6
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD24589759
IUPAC Name:
2,6-dimethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C9H13N3O/c1-6-10-8-3-4-12(2)5-7(8)9(13)11-6/h3-5H2,1-2H3,(H,10,11,13)
InChI Key:
VVQNQUQJWNOZJV-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C1)c(=O)[nH]c(n2)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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