thymine

Ligand id: 4581

Name: thymine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 58.2
Molecular weight 126.04
XLogP -0.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Database Links
CAS Registry No. 65-71-4 (source: Scifinder)
ChEBI CHEBI:17821
ChEMBL Ligand CHEMBL993
PubChem CID 1135
RCSB PDB Ligand TDR
Search Google for chemical match using the InChIKey RWQNBRDOKXIBIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RWQNBRDOKXIBIV
Search UniChem for chemical match using the InChIKey RWQNBRDOKXIBIV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RWQNBRDOKXIBIV
Wikipedia Thymine