1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,5-dimethoxy-phenyl)-urea
Basic information
- Standard SMILES
COc1ccc(OC)c(NC(=O)Nc2cc(Nc3cccc(Cl)c3)ncn2)c1- InChIKey
OIYQFDPIRPLWJV-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5O3
- Average molar mass
- 399.8 g/mol
- Monoisotopic mass
- 399.1098171
Names & identifiers
- Preferred name
- 1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,5-dimethoxy-phenyl)-urea
- IUPAC
- 1-[6-(3-chloroanilino)pyrimidin-4-yl]-3-(2,5-dimethoxyphenyl)urea
Names & synonyms
SCHEMBL374876OIYQFDPIRPLWJV-UHFFFAOYSA-N1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,5-dimethoxy-phenyl)-urea
Database identifiers
- PubChem CID
- 57710333
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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