3-(2,6-Dichloro-3-trifluoromethyl-Phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea
Basic information
- Standard SMILES
CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)ccc(C(F)(F)F)c4Cl)ncn3)cc2)CC1- InChIKey
XGDVOOLOHKHFCS-UHFFFAOYSA-N- Molecular formula
- C25H26Cl2F3N7O
- Average molar mass
- 568.4 g/mol
- Monoisotopic mass
- 567.1527984
Names & identifiers
- Preferred name
- 3-(2,6-Dichloro-3-trifluoromethyl-Phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea
- IUPAC
- 3-[2,6-dichloro-3-(trifluoromethyl)phenyl]-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
Names & synonyms
3-(2,6-Dichloro-3-trifluoromethyl-Phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-ureaSCHEMBL2332925
Database identifiers
- PubChem CID
- 57710418
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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