tert-Butyl 4-(4-((4-(2-(5-(2-amino-2-oxoethyl)pyrimidin-4-yl)ethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(CCc4ncncc4CC(N)=O)n3)cc2)CC1- InChIKey
SAXHZOIVHBLORS-UHFFFAOYSA-N- Molecular formula
- C29H34F3N7O3
- Average molar mass
- 585.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-((4-(2-(5-(2-amino-2-oxoethyl)pyrimidin-4-yl)ethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[4-[2-[5-(2-amino-2-oxoethyl)pyrimidin-4-yl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-(4-((4-(2-(5-(2-amino-2-oxoethyl)pyrimidin-4-yl)ethyl)-5-(trifluoromethyl)pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylateSCHEMBL14643142tert-Butyl 4-(4-((4-(2-(5-(2-amino-2-oxoethyl)pyrimidin-4-yl)ethyl)-5-(trifluoromethyl) pyrimidin-2-yl)amino)phenyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 71229367
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 887
Suppliers
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Related reactions
4 records
Compound notes
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