Basic information
- CAS
851456-64-9- Standard SMILES
CNc1ncnc2sc(-c3ccccc3)cc12- InChIKey
FXBUYWHDWVJPDY-UHFFFAOYSA-N- Molecular formula
- C13H11N3S
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.06736854
Names & identifiers
- Preferred name
- N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
- IUPAC
- N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
Names & synonyms
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amineMLS001010957CHEMBL1426515DTXSID601325285HMS2716N23AKOS034155108851456-64-9SMR000385218SR-01000063605SR-01000063605-1Z31222831
Database identifiers
- CAS
851456-64-9- PubChem CID
- 4882445
- DTXSID
DTXSID601325285- ChEMBL
CHEMBL1426515
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
Solubility4.3 [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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