Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(-c2ccncc2N)nc(C(F)(F)F)n1- InChIKey
YGBJSOUMTFURQY-UHFFFAOYSA-N- Molecular formula
- C15H16F3N5O2
- Average molar mass
- 355.31 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 6-(3-aminopyridin-4-yl)-2-(trifluoromethyl)pyrimidin-4-ylcarbamate
- IUPAC
- tert-butyl N-[6-(3-amino-4-pyridinyl)-2-(trifluoromethyl)pyrimidin-4-yl]carbamate
Names & synonyms
tert-butyl 6-(3-aminopyridin-4-yl)-2-(trifluoromethyl)pyrimidin-4-ylcarbamateSCHEMBL4445771DB-199315tert-butyl 6-(3-aminopyridin-4-yl)-2-(trifluoro-methyl)pyrimidin-4-ylcarbamate1052714-66-5N-[6-(3-amino-4-pyridinyl)-2-(trifluoromethyl)-4-pyrimidinyl]carbamic acid 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 69047673
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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