[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2-methoxy-phenyl)-methanone trifluoroacetic acid salt
Basic information
- Standard SMILES
COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N.O=C(O)C(F)(F)F- InChIKey
NBWQEXDTNPNQOJ-UHFFFAOYSA-N- Molecular formula
- C19H22F3N5O4
- Average molar mass
- 441.4 g/mol
Names & identifiers
- Preferred name
- [4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2-methoxy-phenyl)-methanone trifluoroacetic acid salt
- IUPAC
- [4-amino-2-(piperidin-4-ylamino)pyrimidin-5-yl]-(2-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
Names & synonyms
[4-amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(2-methoxy-phenyl)-methanone trifluoroacetic acid saltSCHEMBL4355096
Database identifiers
- PubChem CID
- 69014044
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 499
Related reactions
27 records
Compound notes
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