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Home > Pyridines > 1011376-38-7
1011376-38-7 | 1-CYCLOPROPYL-2-MERCAPTO-5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
CAS No: 1011376-38-7 Catalog No: AG01AO8R MDL No:MFCD09469223
Product Description
Catalog Number:
AG01AO8R
Chemical Name:
1-CYCLOPROPYL-2-MERCAPTO-5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
CAS Number:
1011376-38-7
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
MDL Number:
MFCD09469223
IUPAC Name:
1-cyclopropyl-5,7-dimethyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H13N3OS/c1-6-5-7(2)13-10-9(6)11(16)14-12(17)15(10)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,14,16,17)
InChI Key:
COFRZFPQNHKKLF-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)n(C1CC1)c(nc2=O)S
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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