Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(-c2ccncc2NC(=O)c2nc(Br)ccc2N)nc(C(F)(F)F)n1- InChIKey
SPXQEBUCPQUENO-UHFFFAOYSA-N- Molecular formula
- C21H19BrF3N7O3
- Average molar mass
- 554.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 6-(3-(3-amino-6-bromopicolinamido)pyridine-4-yl)-2-(trifluoromethyl)pyrimidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[6-[3-[(3-amino-6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]-2-(trifluoromethyl)pyrimidin-4-yl]carbamate
Names & synonyms
tert-butyl 6-(3-(3-amino-6-bromopicolinamido)pyridine-4-yl)-2-(trifluoromethyl)pyrimidin-4-ylcarbamateSCHEMBL4442417
Database identifiers
- PubChem CID
- 86669201
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 755
Related reactions
1 records
Compound notes
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