Basic information
- Standard SMILES
CCCNc1nc(NCCc2ccncc2)ncc1C(=O)Nc1cccc(N(C)C(=O)C(F)(F)F)c1- InChIKey
QGXLQBIFOIDCPH-UHFFFAOYSA-N- Molecular formula
- C24H26F3N7O2
- Average molar mass
- 501.5 g/mol
Names & identifiers
- Preferred name
- 4-(propylamino)-2-((2-(pyridin-4-yl)ethyl)amino)-N-(3-(2,2,2-trifluoro-N-methylacetamido)phenyl)pyrimidine-5-carboxamide
- IUPAC
- N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]-4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
Names & synonyms
4-(propylamino)-2-((2-(pyridin-4-yl)ethyl)amino)-N-(3-(2,2,2-trifluoro-N-methylacetamido)phenyl)pyrimidine-5-carboxamideSCHEMBL15584396
Database identifiers
- PubChem CID
- 90052002
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 706
Related reactions
2 records
Compound notes
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