Basic information
- Standard SMILES
OCCCNc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1- InChIKey
MWIMWDUYANAUGI-UHFFFAOYSA-N- Molecular formula
- C19H18F3N5O
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- N-(3-trifluoromethyl-phenyl)-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamine
- IUPAC
- 3-[[4-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
Names & synonyms
N-(3-trifluoromethyl-phenyl)-4-[2-(3-hydroxy-propyl-amino)-4-pyridyl]-2-pyrimidineamineSCHEMBL4900780
Database identifiers
- PubChem CID
- 21948232
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 467
Related reactions
2 records
Compound notes
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