1-(2,6-Dichloro-phenyl)-3-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-urea
Basic information
- Standard SMILES
O=C(Nc1cc(Nc2ccc(F)cc2)ncn1)Nc1c(Cl)cccc1Cl- InChIKey
CHLBDDFINTVDCC-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2FN5O
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.0402936
Names & identifiers
- Preferred name
- 1-(2,6-Dichloro-phenyl)-3-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-urea
- IUPAC
- 1-(2,6-dichlorophenyl)-3-[6-(4-fluoroanilino)pyrimidin-4-yl]urea
Names & synonyms
SCHEMBL374328CHLBDDFINTVDCC-UHFFFAOYSA-N1-(2,6-Dichloro-phenyl)-3-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-urea
Database identifiers
- PubChem CID
- 57710338
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
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Related reactions
2 records
Compound notes
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