Basic information
- CAS
374083-26-8- Standard SMILES
CC(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N- InChIKey
RFRSNPNFAVILGX-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3OS
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0546109
Names & identifiers
- Preferred name
- 3-Amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
- IUPAC
- 3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
Names & synonyms
3-amino-5-(4-chlorophenyl)-2-(propan-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one3-amino-5-(4-chlorophenyl)-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one374083-26-8MLS000779361CHEMBL1496901DTXSID701320995HMS2744F17STL327638AKOS022098719SMR0004160753-Amino-5-(4-chloro-phenyl)-2-isopropyl-3H-thieno[2,3-d]pyrimidin-4-one3-amino-5-(4-chlorophenyl)-2-isopropylthieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
374083-26-8- PubChem CID
- 916151
- DTXSID
DTXSID701320995- ChEMBL
CHEMBL1496901
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Experimental & physicochemical properties
Solubility2.1 [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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