N-(3-amino-2,2-dimethylpropyl)-6-(6-(4-(3-bromopropoxy)benzylamino)-2-(2,2,2-trifluoroethoxy)pyrimidin-4-ylamino)nicotinamide
Basic information
- Standard SMILES
CC(C)(CN)CNC(=O)c1ccc(Nc2cc(NCc3ccc(OCCCBr)cc3)nc(OCC(F)(F)F)n2)nc1- InChIKey
QGPCXZSRLYFKQX-UHFFFAOYSA-N- Molecular formula
- C27H33BrF3N7O3
- Average molar mass
- 640.5 g/mol
- Monoisotopic mass
- 639.17804
Names & identifiers
- Preferred name
- N-(3-amino-2,2-dimethylpropyl)-6-(6-(4-(3-bromopropoxy)benzylamino)-2-(2,2,2-trifluoroethoxy)pyrimidin-4-ylamino)nicotinamide
- IUPAC
- N-(3-amino-2,2-dimethylpropyl)-6-[[6-[[4-(3-bromopropoxy)phenyl]methylamino]-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]amino]pyridine-3-carboxamide
Names & synonyms
N-(3-amino-2,2-dimethylpropyl)-6-(6-(4-(3-bromopropoxyl)benzylamino)-2-(2,2,2-trifluoroethoxyl)pyrimidin-4-ylamino)nicotinamideSCHEMBL14801819N-(3-amino-2,2-dimethylpropyl)-6-(6-(4-(3-bromopropoxy)benzylamino)-2-(2,2,2-trifluoroethoxy)pyrimidin-4-ylamino)nicotinamide
Database identifiers
- PubChem CID
- 86679321
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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