1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(3,4,5-trimethoxy-phenyl)-urea
Basic information
- Standard SMILES
COc1cc(NC(=O)Nc2cc(Nc3cccc(Cl)c3)ncn2)cc(OC)c1OC- InChIKey
XELOFLJBRMBJDW-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5O4
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 429.1203818
Names & identifiers
- Preferred name
- 1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(3,4,5-trimethoxy-phenyl)-urea
- IUPAC
- 1-[6-(3-chloroanilino)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
Names & synonyms
SCHEMBL374468XELOFLJBRMBJDW-UHFFFAOYSA-N1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(3,4,5-trimethoxy-phenyl)-urea
Database identifiers
- PubChem CID
- 57710427
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 531
Related reactions
2 records
Compound notes
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