ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15562
CHEMBL15562
Compound Name PYRIMIDINE
ChEMBL Synonyms Pyrimidine
Max Phase 0
Trade Names
Molecular Formula C4H4N2

Additional synonyms for CHEMBL15562 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1cncnc1
Standard InChI InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Standard InChI Key CZPWVGJYEJSRLH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15562

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
80.1 80.0374 0.05 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.78 .26 .26 1 6 0.44

Structural Alerts

There are no structural alerts for CHEMBL15562

Compound Cross References

ChemSpider ChemSpider:CZPWVGJYEJSRLH-UHFFFAOYSA-N
Wikipedia Pyrimidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15562



ACToR 25247-63-6 289-95-2
Brenda 20493
ChEBI 16898
eMolecules 480601
EPA CompTox Dashboard DTXSID1051228
FDA SRS K8CXK5Q32L
Human Metabolome Database HMDB0003361
IBM Patent System 1E3C0FCCCFF263CCDC6F879A4D846C70
KEGG Ligand C00396
Metabolights MTBLC16898
MolPort MolPort-000-870-930
Nikkaji J2.568B
NMRShiftDB 10008954
PDBe P1R
PubChem 9260
PubChem: Thomson Pharma 14915920
SureChEMBL SCHEMBL1846
ZINC ZINC000000895216

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CZPWVGJYEJSRLH-UHFFFAOYSA-N spacer
spacer