9-Ethyl-2-(trifluoromethyl)-9h-purin-6-amine
Basic information
- CAS
1736-95-4- Standard SMILES
CCn1cnc2c(N)nc(C(F)(F)F)nc21- InChIKey
DBPJUQIIERGGSN-UHFFFAOYSA-N- Molecular formula
- C8H8F3N5
- Average molar mass
- 231.18 g/mol
- Monoisotopic mass
- 231.07317976
Names & identifiers
- Preferred name
- 9-Ethyl-2-(trifluoromethyl)-9h-purin-6-amine
- IUPAC
- 9-ethyl-2-(trifluoromethyl)purin-6-amine
Names & synonyms
9-ethyl-2-(trifluoromethyl)-9h-purin-6-amine1736-95-49-ethyl-2-(trifluoromethyl)purin-6-amineNSC67095DTXSID30290159NSC-67095DS-001693
Database identifiers
- CAS
1736-95-4- PubChem CID
- 249122
- DTXSID
DTXSID30290159
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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