Basic information
- Standard SMILES
CSc1nccc(C(=CN(C)C)C(=O)C(C)C)n1- InChIKey
NTFLJTOOCPIGSO-UHFFFAOYSA-N- Molecular formula
- C13H19N3OS
- Average molar mass
- 265.38 g/mol
- Monoisotopic mass
- 265.12488341
Names & identifiers
- Preferred name
- 1-Dimethylamino-4-methyl-2-(2-methylsulfanyl-pyrimidin-4-yl)-pent-1-en-3-one
- IUPAC
- 1-(dimethylamino)-4-methyl-2-(2-methylsulfanylpyrimidin-4-yl)pent-1-en-3-one
Names & synonyms
SCHEMBL2459686NTFLJTOOCPIGSO-UHFFFAOYSA-N1-dimethylamino-4-methyl-2-(2-methylsulfanyl-pyrimidin-4-yl)-pent-1-en-3-one
Database identifiers
- PubChem CID
- 67416627
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
1 records
Compound notes
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