Basic information
- Standard SMILES
FC(F)(F)c1ccc(CNCCNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1- InChIKey
YOKBECNMVDUBSS-UHFFFAOYSA-N- Molecular formula
- C20H22ClF3N6
- Average molar mass
- 438.9 g/mol
Names & identifiers
- Preferred name
- 2-chloro-9-cyclopentyl-N-[2-[[[4-(trifluoromethyl)-phenyl]-methyl]-amino]-ethyl]-9H-purin-6-amine
- IUPAC
- N'-(2-chloro-9-cyclopentylpurin-6-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
Names & synonyms
2-chloro-9-cyclopentyl-N-[2-[[[4-(trifluoromethyl)-phenyl]-methyl]-amino]-ethyl]-9H-purin-6-amineSCHEMBL5193654
Database identifiers
- PubChem CID
- 21923022
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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