Basic information
- Standard SMILES
CSc1sc(-c2nc(Nc3cccc(N)c3)ncc2C)c(C2CCCCC2)c1C#N- InChIKey
WNILFZWOGDOFEN-UHFFFAOYSA-N- Molecular formula
- C23H25N5S2
- Average molar mass
- 435.6 g/mol
Names & identifiers
- Preferred name
- 5-[2-(3-Aminophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile
- IUPAC
- 5-[2-(3-aminoanilino)-5-methylpyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanylthiophene-3-carbonitrile
Names & synonyms
SCHEMBL5756159WNILFZWOGDOFEN-UHFFFAOYSA-N5-[2-(3-aminophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 22019026
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Related reactions
3 records
Compound notes
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