N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

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Basic information

CAS: 2728-78-1
Standard SMILES: Nc1nc(NCCc2ccccc2)nc(C(F)(F)F)n1
InChIKey: BKSGQDUNVYOBIE-UHFFFAOYSA-N
Molecular formula: C12H12F3N5
Average molar mass: 283.25 g/mol
Monoisotopic mass: 283.10447989

Names & identifiers

Preferred name: N2-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
IUPAC: 2-N-(2-phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

Names & synonyms

2728-78-11,3,5-Triazine-2,4-diamine, N-(2-phenylethyl)-6-(trifluoromethyl)-DTXSID00181727RefChem:1092197DTXCID40104218N2-(2-PHENYLETHYL)-6-(TRIFLUOROMETHYL)-1,3,5-TRIAZINE-2,4-DIAMINEBRN 0621050N-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamines-Triazine-2,4-diamine, N-(2-phenylethyl)-6-(trifluoromethyl)-SCHEMBL8021955N~2~-(2-Phenylethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

Database identifiers

CAS: 2728-78-1
PubChem CID: 200798
DTXSID: DTXSID00181727

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 293

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Compound notes

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