(S)-1-(3-fluoro-4-(4-(5-fluoropyridin-3-yl)-6-(3-methylmorpholino)pyrimidin-2-yl)phenyl)-3-(2-fluoroethyl)urea
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Basic information
- Standard SMILES
C[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(-c2ccc(NC(=O)NCCF)cc2F)n1- InChIKey
VCRIYHVBVKPZCJ-AWEZNQCLSA-N- Molecular formula
- C23H23F3N6O2
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-fluoro-4-(4-(5-fluoropyridin-3-yl)-6-(3-methylmorpholino)pyrimidin-2-yl)phenyl)-3-(2-fluoroethyl)urea
- IUPAC
- 1-(2-fluoroethyl)-3-[3-fluoro-4-[4-(5-fluoro-3-pyridinyl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
Names & synonyms
SCHEMBL2370378VCRIYHVBVKPZCJ-AWEZNQCLSA-N(S)-1-(3-fluoro-4-(4-(5-fluoropyridin-3-yl)-6-(3-methylmorpholino)pyrimidin-2-yl)phenyl)-3-(2-fluoroethyl)urea
Database identifiers
- PubChem CID
- 53379862
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 664
Related reactions
1 records
Compound notes
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