3-isobutyl-8-pyrrolidinoxanthine

Ligand id: 447

Name: 3-isobutyl-8-pyrrolidinoxanthine

Abbreviated name: IPDX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 81.33
Molecular weight 277.15
XLogP 1.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(2-methylpropyl)-8-pyrrolidin-1-yl-7H-purine-2,6-dione
Database Links
PubChem CID 10221256
Search Google for chemical match using the InChIKey KHQOTPZSYMSVHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHQOTPZSYMSVHB
Search UniChem for chemical match using the InChIKey KHQOTPZSYMSVHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KHQOTPZSYMSVHB