Basic information
- CAS
6621-82-5- Standard SMILES
FC(F)(F)c1nc(NCc2ccccc2)c2[nH]cnc2n1- InChIKey
ZIADZRRHWMKXLE-UHFFFAOYSA-N- Molecular formula
- C13H10F3N5
- Average molar mass
- 293.25 g/mol
- Monoisotopic mass
- 293.08882983
Names & identifiers
- Preferred name
- N-Benzyl-2-(trifluoromethyl)-3H-purin-6-amine
- IUPAC
- N-benzyl-2-(trifluoromethyl)-7H-purin-6-amine
Names & synonyms
N-Benzyl-2-(trifluoromethyl)-3H-purin-6-amine6621-82-5NCIOpen2_002505SCHEMBL8652060DTXSID80984697ZIADZRRHWMKXLE-UHFFFAOYSA-NNSC56386NSC-56386
Database identifiers
- CAS
6621-82-5- PubChem CID
- 4014232
- DTXSID
DTXSID80984697
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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