Basic information
- Standard SMILES
CNC(=O)c1cc(-c2cnn(C)c2)cc(F)c1Nc1nc(Cl)ncc1Cl- InChIKey
VFDRNWIWZFOWFX-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2FN6O
- Average molar mass
- 395.2 g/mol
- Monoisotopic mass
- 394.0511926
Names & identifiers
- Preferred name
- 2-(2,5-dichloro-pyrimidin-4-ylamino)-3-fluoro-N-methyl-5-(1-methyl-1H-pyrazol-4-yl)-benzamide
- IUPAC
- 2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluoro-N-methyl-5-(1-methylpyrazol-4-yl)benzamide
Names & synonyms
SCHEMBL2061318VFDRNWIWZFOWFX-UHFFFAOYSA-N2-(2,5-dichloro-pyrimidin-4-ylamino)-3-fluoro-N-methyl-5-(1-methyl-1H-pyrazol-4-yl)-benzamide
Database identifiers
- PubChem CID
- 86634036
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 503
Related reactions
16 records
Compound notes
Loading…