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Basic information
- Standard SMILES
FC(F)(F)c1cc(CNc2ncc(Br)cn2)cc(C(F)(F)F)c1- InChIKey
SNIYWUDYTWONAS-UHFFFAOYSA-N- Molecular formula
- C13H8BrF6N3
- Average molar mass
- 400.12 g/mol
- Monoisotopic mass
- 398.98058
Names & identifiers
- Preferred name
- (3,5-Bis-trifluoromethyl-benzyl)-(5-bromopyrimidin-2-yl)-amine
- IUPAC
- N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-bromopyrimidin-2-amine
Names & synonyms
(3,5-bis-trifluoromethyl-benzyl)-(5-bromopyrimidin-2-yl)-amineSCHEMBL131359(3,5-Bis-trifluoromethyl-benzyl)-(5-bromo-pyrimidin-2-yl)-amine
Database identifiers
- PubChem CID
- 57551007
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
8 records
Compound notes
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