Basic information
- Standard SMILES
CC(C)(C)c1ccc(Nc2nc(Cl)ncc2F)cc1- InChIKey
XOPJTGISJDXXJQ-UHFFFAOYSA-N- Molecular formula
- C14H15ClFN3
- Average molar mass
- 279.74 g/mol
Names & identifiers
- Preferred name
- N4-(4-tert-butylphenyl]-2-chloro-5-fluoro-4-pyrimidineamine
- IUPAC
- N-(4-tert-butylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
Names & synonyms
SCHEMBL657105XOPJTGISJDXXJQ-UHFFFAOYSA-NAKOS017631349N4-(4-tert -butylphenyl]-2-chloro-5-fluoro-4-pyrimidineamineN4-(4-tert-butylphenyl]-2-chloro-5-fluoro-4-pyrimidineamine
Database identifiers
- PubChem CID
- 79080795
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Related reactions
23 records
Compound notes
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