pyrimethamine

Ligand id: 4800

Name: pyrimethamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 77.82
Molecular weight 248.08
XLogP 2.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
IUPAC Name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
International Nonproprietary Names
INN number INN
2215 pyrimethamine
Synonyms
Daraprim® | GNF-Pf-5586 | TCMDC-125860
Database Links
CAS Registry No. 58-14-0 (source: Scifinder)
ChEMBL Ligand CHEMBL36
DrugBank Ligand DB00205
GtoPdb PubChem SID 178101502
PubChem CID 4993
RCSB PDB Ligand CP6
Search Google for chemical match using the InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WKSAUQYGYAYLPV
Search PubMed clinical trials pyrimethamine
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Search PubMed titles/abstracts pyrimethamine
Search UniChem for chemical match using the InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WKSAUQYGYAYLPV
Wikipedia Pyrimethamine
Comments
Pyrimethamine is an anti-protozoal drug. It is one of the drugs in the WHO 20th Essential Medicines List (2017).