2,3-Dimethylthieno[2,3-d]pyrimidin-4-one
Basic information
- CAS
79927-66-5- Standard SMILES
Cc1nc2sccc2c(=O)n1C- InChIKey
QJXAEGFHJPERAX-UHFFFAOYSA-N- Molecular formula
- C8H8N2OS
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.03573406
Names & identifiers
- Preferred name
- 2,3-Dimethylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 2,3-dimethylthieno[2,3-d]pyrimidin-4-one
Names & synonyms
79927-66-52,3-dimethylthieno[2,3-d]pyrimidin-4-oneNSC354286DTXSID90320047NSC-3542862,3-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
79927-66-5- PubChem CID
- 337188
- DTXSID
DTXSID90320047
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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