2-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzaldehyde oxime
Basic information
- Standard SMILES
COc1ccc(CCNc2cc(-c3ccc(F)c(C=NO)c3)nc(OC)n2)cc1- InChIKey
PZWGBZLUHRRULA-UHFFFAOYSA-N- Molecular formula
- C21H21FN4O3
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- 2-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzaldehyde oxime
- IUPAC
- N-[[2-fluoro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methylidene]hydroxylamine
Names & synonyms
SCHEMBL4491645PZWGBZLUHRRULA-UHFFFAOYSA-N2-fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzaldehyde oxime
Database identifiers
- PubChem CID
- 73019010
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 504
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Related reactions
6 records
Compound notes
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