5-(3,4-Dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(1H)-one
Basic information
- CAS
14346-26-0- Standard SMILES
COc1ccc(-c2csc3nc[nH]c(=O)c23)cc1OC- InChIKey
RWLQETKYSDXWBL-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3S
- Average molar mass
- 288.32 g/mol
- Monoisotopic mass
- 288.05686342
Names & identifiers
- Preferred name
- 5-(3,4-Dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
14346-26-05-(3,4-Dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(1H)-one5-(3,4-Dimethoxyphenyl)thieno(2,3-d)pyrimidin-4(1H)-oneRefChem:2996075-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one5-(3,4-dimethoxyphenyl)-3-hydrothiopheno[2,3-d]pyrimidin-4-one5-(3,4-dimethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-oneMLS001165080CHEMBL1376692DTXSID601207059HMS1591D03HMS2853C07
Show more names
SBB077964STL338232AKOS001057963SMR000540348ST50201048SR-01000268594SR-01000268594-1Z56176215
Database identifiers
- CAS
14346-26-0- PubChem CID
- 733738
- DTXSID
DTXSID601207059- ChEMBL
CHEMBL1376692
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility39.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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