Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1Nc1ncnc(Cl)c1N- InChIKey
BKNAARUBUWWNFW-UHFFFAOYSA-N- Molecular formula
- C22H22ClFN6O2
- Average molar mass
- 456.9 g/mol
Names & identifiers
- Preferred name
- 5-Amino-6-chloro-4-[5-(3-fluoro-5-morpholinobenzamido) 2-methylanilino]pyrimidine
- IUPAC
- N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
Names & synonyms
SCHEMBL6221738BKNAARUBUWWNFW-UHFFFAOYSA-N5-Amino-6-chloro-4-[5-(3-fluoro-5-morpholinobenzamido) 2-methylanilino]pyrimidine
Database identifiers
- PubChem CID
- 86759591
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 627
Related reactions
2 records
Compound notes
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