4-(2-chloro-4-dimethylamino-5-fluoro-phenyl)-N2-(2-methoxy-1-methyl-ethyl)-pyridine-2,3-diamine
Basic information
- Standard SMILES
COCC(C)Nc1nccc(-c2cc(F)c(N(C)C)cc2Cl)c1N- InChIKey
KHSBMBITVHKLRN-UHFFFAOYSA-N- Molecular formula
- C17H22ClFN4O
- Average molar mass
- 352.8 g/mol
Names & identifiers
- Preferred name
- 4-(2-chloro-4-dimethylamino-5-fluoro-phenyl)-N2-(2-methoxy-1-methyl-ethyl)-pyridine-2,3-diamine
- IUPAC
- 4-[2-chloro-4-(dimethylamino)-5-fluorophenyl]-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
Names & synonyms
SCHEMBL6082565KHSBMBITVHKLRN-UHFFFAOYSA-N4-(2-chloro-4-dimethylamino-5-fluoro-phenyl)-N2-(2-methoxy-1-methyl-ethyl)-pyridine-2,3-diamine
Database identifiers
- PubChem CID
- 69658151
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
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Related reactions
2 records
Compound notes
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