3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
Basic information
- CAS
181478-28-4- Standard SMILES
Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N- InChIKey
YHVCBUHGIBCVTQ-UHFFFAOYSA-N- Molecular formula
- C13H11N3OS
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.06228316
Names & identifiers
- Preferred name
- 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one
- IUPAC
- 3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one
Names & synonyms
3-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4(3H)-one181478-28-43-amino-2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-oneCBMicro_016509MLS000718094CHEMBL1595632DTXSID501321454HMS1672B01HMS2693F18CCG-5532STL332721AKOS000507529
Show more names
SMR000279862BIM-0016537.P001ST50018908AH-262/34642048BRD-K67449015-001-15-53-amino-2-methyl-6-phenyl-3-hydrothiopheno[3,2-d]pyrimidin-4-one
Database identifiers
- CAS
181478-28-4- PubChem CID
- 793586
- DTXSID
DTXSID501321454- ChEMBL
CHEMBL1595632
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Solubility3.3 [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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