Basic information
- Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](Nc1ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n1)C2- InChIKey
AWSJWAMUQHFQRC-UHYGZKCKSA-N- Molecular formula
- C20H27F3N4O2
- Average molar mass
- 412.4 g/mol
Names & identifiers
- Preferred name
- 5-(morpholin-4-ylcarbonyl)-4-(trifluoromethyl)-N-[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]pyrimidin-2-amine
- IUPAC
- morpholin-4-yl-[4-(trifluoromethyl)-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]pyrimidin-5-yl]methanone
Names & synonyms
5-(morpholin-4-ylcarbonyl)-4-(trifluoromethyl)-N-[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]pyrimidin-2-amineSCHEMBL541332
Database identifiers
- PubChem CID
- 66720145
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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