uracil   Click here for help

GtoPdb Ligand ID: 4560

PDB Ligand
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 65.72
Molecular weight 112.03
XLogP -0.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1cc[nH]c(=O)[nH]1
Isomeric SMILES O=c1cc[nH]c(=O)[nH]1
InChI InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
1,2,3,4-tetrahydropyrimidine-2,4-dione
Database Links Click here for help
CAS Registry No. 66-22-8 (source: Scifinder)
ChEBI CHEBI:17568
ChEMBL Ligand CHEMBL566
DrugBank Ligand DB03419
GtoPdb PubChem SID 178101281
PubChem CID 1174
RCSB PDB Ligand URA
Search Google for chemical match using the InChIKey ISAKRJDGNUQOIC-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey ISAKRJDGNUQOIC-UHFFFAOYSA-N
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Wikipedia Uracil