6-(trifluoromethyl)-5H-purin-2-amine
Basic information
- Standard SMILES
NC1=NC2=NC=NC2C(C(F)(F)F)=N1- InChIKey
IVOIAUFQMXIKHL-UHFFFAOYSA-N- Molecular formula
- C6H4F3N5
- Average molar mass
- 203.12 g/mol
- Monoisotopic mass
- 203.04187964
Names & identifiers
- Preferred name
- 6-(trifluoromethyl)-5H-purin-2-amine
- IUPAC
- 6-(trifluoromethyl)-5H-purin-2-amine
Names & synonyms
6-(trifluoromethyl)-5H-purin-2-amineDTXSID90331330
Database identifiers
- PubChem CID
- 437445
- DTXSID
DTXSID90331330
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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