Basic information
- Standard SMILES
Nc1cccc(Nc2nccc(Sc3ccccc3)n2)c1- InChIKey
RVIDAWIHMKSMDI-UHFFFAOYSA-N- Molecular formula
- C16H14N4S
- Average molar mass
- 294.4 g/mol
Names & identifiers
- Preferred name
- N1-(4-(phenylthio)pyrimidin-2-yl)benzene-1,3-diamine
- IUPAC
- 3-N-(4-phenylsulfanylpyrimidin-2-yl)benzene-1,3-diamine
Names & synonyms
SCHEMBL3692904RVIDAWIHMKSMDI-UHFFFAOYSA-NN1-(4-(phenylthio)pyrimidin-2-yl)benzene-1,3-diamine
Database identifiers
- PubChem CID
- 68746426
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Related reactions
6 records
Compound notes
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