thiamylal

Ligand id: 7305

Name: thiamylal

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 97.27
Molecular weight 254.11
XLogP 2.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
4,6-dihydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2,5-dihydropyrimidine-2-thione
Synonyms
Surital®
Database Links
CAS Registry No. 77-27-0
ChEMBL Ligand CHEMBL440
DrugBank Ligand DB01154
PubChem CID 3032285
Search Google for chemical match using the InChIKey XLOMZPUITCYLMJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XLOMZPUITCYLMJ
Search UniChem for chemical match using the InChIKey XLOMZPUITCYLMJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XLOMZPUITCYLMJ
Wikipedia Thiamylal
Comments
Thiamylal is a barbiturate with sedative, anticonvulsant and hypnotic effects.