Basic information
- Standard SMILES
CC(C)n1cnc2c(NCc3cccc(Cl)c3)nc(F)nc21- InChIKey
SZQZJKNWJBRXTO-UHFFFAOYSA-N- Molecular formula
- C15H15ClFN5
- Average molar mass
- 319.76 g/mol
- Monoisotopic mass
- 319.1000014
Names & identifiers
- Preferred name
- (3-Chlorobenzyl)-(2-fluoro-9-isopropyl-9H-purin-6-yl)amine
- IUPAC
- N-[(3-chlorophenyl)methyl]-2-fluoro-9-propan-2-ylpurin-6-amine
Names & synonyms
SCHEMBL3295975SZQZJKNWJBRXTO-UHFFFAOYSA-N(3-Chlorobenzyl)-(2-fluoro-9-isopropyl-9H-purin-6-yl)amine
Database identifiers
- PubChem CID
- 57433115
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
2 records
Compound notes
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