Pyrimethamine hydrochlorideProduct ingredient for Pyrimethamine
- Name
- Pyrimethamine hydrochloride
- Drug Entry
- Pyrimethamine
One of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis.
- Accession Number
- DBSALT000385
- Structure
Structure for Pyrimethamine hydrochloride (DBSALT000385)
- Synonyms
- Pyrimethamine HCl
- UNII
- FDZ9T27VWT
- CAS Number
- 19085-09-7
- Weight
- Average: 285.172
Monoisotopic: 284.059551882 - Chemical Formula
- C12H14Cl2N4
- InChI Key
- JZCLIFPQURTYFA-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H13ClN4.ClH/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;/h3-6H,2H2,1H3,(H4,14,15,16,17);1H
- IUPAC Name
- 5-(4-chlorophenyl)-6-ethyl-2-imino-2,3-dihydropyrimidin-4-amine hydrochloride
- SMILES
- Cl.CCC1=NC(=N)NC(N)=C1C1=CC=C(Cl)C=C1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.0913 mg/mL ALOGPS logP 2.09 ALOGPS logP 1.9 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 9.57 Chemaxon pKa (Strongest Basic) 15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 74.26 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 89.05 m3·mol-1 Chemaxon Polarizability 25.85 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon