3-(3-Chloro-Phenyl)-1-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-1-methyl-urea
Basic information
- Standard SMILES
CN(C(=O)Nc1cccc(Cl)c1)c1cc(Nc2ccc(F)cc2)ncn1- InChIKey
DAAXGDGNJVFJEE-UHFFFAOYSA-N- Molecular formula
- C18H15ClFN5O
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.094916
Names & identifiers
- Preferred name
- 3-(3-Chloro-Phenyl)-1-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-1-methyl-urea
- IUPAC
- 3-(3-chlorophenyl)-1-[6-(4-fluoroanilino)pyrimidin-4-yl]-1-methylurea
Names & synonyms
SCHEMBL374185DAAXGDGNJVFJEE-UHFFFAOYSA-N3-(3-Chloro-Phenyl)-1-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-1-methyl-urea
Database identifiers
- PubChem CID
- 57710425
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
2 records
Compound notes
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