example 20 [WO2010128058]

Ligand id: 7853

Name: example 20 [WO2010128058]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 113.57
Molecular weight 372.11
XLogP 0.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyrimidine-2-carboxamide
Database Links
PubChem CID 46944265
Search Google for chemical match using the InChIKey VZUGBLTVBZJZOE-KRWDZBQOSA-N
Search Google for chemicals with the same backbone VZUGBLTVBZJZOE
Search UniChem for chemical match using the InChIKey VZUGBLTVBZJZOE-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone VZUGBLTVBZJZOE
Comments
This compound is a BACE2 inhibitor developed by Roche, and is example 20 (out of 130) in patent WO2010128058 [1]. See also BACE2 patent review [2].