IUPAC name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1
Compound class
Antimalarials; Antiprotozoal Agents; Folic Acid Antagonists; Antiparasitic Products, Insecticides and Repellents; Diaminopyrimidines; Agents Against Protozoal Diseases; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the treatment of toxoplasmosis and acute malaria; For the prevention of malaria in areas non-resistant to pyrimethamine.
Common name
Pyrimethamine
IUPAC name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
SMILES
CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1
INCHI
InChI=1S/C12H13ClN4/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)
FORMULA
C12H13ClN4
Common name
Pyrimethamine
IUPAC name
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Molecular weight
248.711
clogP
2.436
clogS
-4.260
HBond Acceptor
2
HBond Donor
4
Total Polar Surface Area
77.82
Number of Rings
2
Rotatable Bond
2
