C16 H19 Cl N2 O
XG9
4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
We have redesigned this page to enhance your experience. Take an on-page tour.
Synonyms
4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine
Formula
Standard InChI
InChI=1S/C16H19ClN2O/c1-11-7-15(13(8-14(11)17)16(2,3)4)20-9-12-5-6-18-10-19-12/h5-8,10H,9H2,1-4H3
Standard InChI Key
PQGHKSKSASEMKX-UHFFFAOYSA-N
SMILES
Cc1cc(c(cc1Cl)C(C)(C)C)OCc2ccncn2
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
Displayed: 1 / 2