2-Methylsulfanyl-5-(2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-1H-pyrimidin-4-one
Basic information
- Standard SMILES
CSc1nc(=O)c(Cc2cc[nH]c(=O)c2)c[nH]1- InChIKey
VCEBMTOWJHYTDA-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.05719778
Names & identifiers
- Preferred name
- 2-Methylsulfanyl-5-(2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-1H-pyrimidin-4-one
- IUPAC
- 2-methylsulfanyl-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
Names & synonyms
SCHEMBL9104128VCEBMTOWJHYTDA-UHFFFAOYSA-N2-Methylsulfanyl-5-(2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-1H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 67773919
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 489
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Related reactions
2 records
Compound notes
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