N-(3-((5-fluoro-2-((4-hydroxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
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Basic information
- Standard SMILES
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1- InChIKey
GVLYUASGCWQGPF-UHFFFAOYSA-N- Molecular formula
- C19H16FN5O2
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- N-(3-((5-fluoro-2-((4-hydroxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
- IUPAC
- N-[3-[[5-fluoro-2-(4-hydroxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Names & synonyms
CHEMBL3355048SCHEMBL15815010GVLYUASGCWQGPF-UHFFFAOYSA-NBDBM50043318N-(3-((5-fluoro-2-((4-hydroxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)acrylamide
Database identifiers
- PubChem CID
- 86724331
- ChEMBL
CHEMBL3355048
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
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Related reactions
4 records
Compound notes
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