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Home > Pyridines > 1018142-68-1
1018142-68-1 | 2-MERCAPTO-1-(2-METHOXYETHYL)-6-METHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
CAS No: 1018142-68-1 Catalog No: AG01AOBV MDL No:MFCD09701565
Product Description
Catalog Number:
AG01AOBV
Chemical Name:
2-MERCAPTO-1-(2-METHOXYETHYL)-6-METHYLPYRIDO[2,3-D]PYRIMIDIN-4(1H)-ONE
CAS Number:
1018142-68-1
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
MDL Number:
MFCD09701565
IUPAC Name:
1-(2-methoxyethyl)-6-methyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H13N3O2S/c1-7-5-8-9(12-6-7)14(3-4-16-2)11(17)13-10(8)15/h5-6H,3-4H2,1-2H3,(H,13,15,17)
InChI Key:
ZYYAPQKZDKGDEE-UHFFFAOYSA-N
SMILES:
COCCn1c(S)nc(=O)c2c1ncc(c2)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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