Basic information
- Standard SMILES
CC(Nc1nc(Nc2cnccn2)cc(-c2ccc(S(C)(=O)=O)cc2)n1)c1ccc(F)cc1- InChIKey
MIWDTPPANODLQK-UHFFFAOYSA-N- Molecular formula
- C23H21FN6O2S
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.14307327
Names & identifiers
- Preferred name
- 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
- IUPAC
- 2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 76417439
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 706
Related reactions
1 records
Compound notes
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