N4-[2-(tert-butylcarbonyl)amino-3-methoxypyrid-6-yl]-2-chloro-5-fluoro-4-pyrimidineamine
Basic information
- Standard SMILES
COc1ccc(Nc2nc(Cl)ncc2F)nc1NC(=O)C(C)(C)C- InChIKey
MRIUNLNCOJQMIF-UHFFFAOYSA-N- Molecular formula
- C15H17ClFN5O2
- Average molar mass
- 353.78 g/mol
- Monoisotopic mass
- 353.1054807
Names & identifiers
- Preferred name
- N4-[2-(tert-butylcarbonyl)amino-3-methoxypyrid-6-yl]-2-chloro-5-fluoro-4-pyrimidineamine
- IUPAC
- N-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methoxy-2-pyridinyl]-2,2-dimethylpropanamide
Names & synonyms
SCHEMBL4000135MRIUNLNCOJQMIF-UHFFFAOYSA-NN4-[2-(tert-butylcarbonyl)amino-3-methoxypyrid-6-yl]-2-chloro-5-fluoro-4-pyrimidineamine
Database identifiers
- PubChem CID
- 57562886
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Related reactions
10 records
Compound notes
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