cytosine   

GtoPdb Ligand ID: 8490

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 71.77
Molecular weight 111.04
XLogP 0.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1ccnc(=O)[nH]1
Isomeric SMILES Nc1ccnc(=O)[nH]1
InChI InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChI Key OPTASPLRGRRNAP-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
4-amino-3H-pyrimidin-2-one
Database Links
CAS Registry No. 71-30-7
ChEMBL Ligand ChEMBL15913
GtoPdb PubChem SID 252166698
PubChem CID 597
RCSB PDB Ligand CYT
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