Basic information
- CAS
90699-81-3- Standard SMILES
Cc1sc2ncn(-c3ccccc3)c(=O)c2c1C- InChIKey
PWKYJDFVCSHYKS-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.06703418
Names & identifiers
- Preferred name
- Thieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-3-phenyl-
- IUPAC
- 5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
Names & synonyms
5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one90699-81-3Thieno[2,3-d]pyrimidin-4(3H)-one, 5,6-dimethyl-3-phenyl-HMS2713H17MLS000688341CHEMBL1426162DTXSID10354748STK838883AKOS005624791SMR000283769SR-01000417632SR-01000417632-1
Database identifiers
- CAS
90699-81-3- PubChem CID
- 780992
- DTXSID
DTXSID10354748- ChEMBL
CHEMBL1426162
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Solubility5.6 [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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