Basic information
- Standard SMILES
O=C(Nc1cc(Nc2ccc(N3CCOCC3)cc2)ncn1)Nc1c(F)cccc1F- InChIKey
KAOFLJJIEACVMS-UHFFFAOYSA-N- Molecular formula
- C21H20F2N6O2
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- 1-(2,6-Difluoro-phenyl)-3-[6-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-urea
- IUPAC
- 1-(2,6-difluorophenyl)-3-[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]urea
Names & synonyms
SCHEMBL374584KAOFLJJIEACVMS-UHFFFAOYSA-N1-(2,6-Difluoro-phenyl)-3-[6-(4-morpholin-4-yl-phenylamino)-pyrimidin-4-yl]-urea
Database identifiers
- PubChem CID
- 57710419
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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