1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dichloro-Phenyl)-urea
Basic information
- Standard SMILES
O=C(Nc1cc(Nc2cccc(Cl)c2)ncn1)Nc1c(Cl)cccc1Cl- InChIKey
YNLBUHNSHFYZLI-UHFFFAOYSA-N- Molecular formula
- C17H12Cl3N5O
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 407.010743
Names & identifiers
- Preferred name
- 1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dichloro-Phenyl)-urea
- IUPAC
- 1-[6-(3-chloroanilino)pyrimidin-4-yl]-3-(2,6-dichlorophenyl)urea
Names & synonyms
SCHEMBL379004YNLBUHNSHFYZLI-UHFFFAOYSA-N1-[6-(3-Chloro-phenylamino)-pyrimidin-4-yl]-3-(2,6-dichloro-Phenyl)-urea
Database identifiers
- PubChem CID
- 57710223
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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