5-Methoxy-3-methyl-2-(methylthio)-4(3H)-pyrimidinone
Basic information
- CAS
1671-10-9- Standard SMILES
COc1cnc(SC)n(C)c1=O- InChIKey
ISYKPYGBHZRBTL-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.04629874
Names & identifiers
- Preferred name
- 5-Methoxy-3-methyl-2-(methylthio)-4(3H)-pyrimidinone
- IUPAC
- 5-methoxy-3-methyl-2-methylsulfanylpyrimidin-4-one
Names & synonyms
TimTec1_0049655-Methoxy-3-methyl-2-(methylthio)-4(3H)-pyrimidinoneDTXSID501220921HMS1548B151671-10-95-Methoxy-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
Database identifiers
- CAS
1671-10-9- PubChem CID
- 676465
- DTXSID
DTXSID501220921
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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