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

Structural Alerts

There are no structural alerts for CHEMBL15562

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

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
ChEBI 16898
eMolecules 480601
FDA SRS K8CXK5Q32L
Human Metabolome Database HMDB03361
IBM Patent System 1E3C0FCCCFF263CCDC6F879A4D846C70
KEGG Ligand C00396
MolPort MolPort-000-870-930
Nikkaji J2.568B
NMRShiftDB 10008954
PDBe P1R
PubChem 9260
PubChem: Thomson Pharma 14915920
SureChEMBL SCHEMBL1846
ZINC ZINC00895216

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