Basic information
- CAS
372496-38-3- Standard SMILES
COc1ccccc1-n1cnc2sc(C)c(C)c2c1=O- InChIKey
MXCYQDAXUHCUFP-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 3-(2-Methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-(2-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
Names & synonyms
3-(2-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one3-(2-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-oneOprea1_372515Oprea1_720101372496-38-3MLS001173340CHEMBL1305246DTXSID001326285HMS2870C17STK535336AKOS005466645SMR000538967
Database identifiers
- CAS
372496-38-3- PubChem CID
- 780993
- DTXSID
DTXSID001326285- ChEMBL
CHEMBL1305246
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility15.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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