1.0 2016-05-20 16:10:16 UTC 2026-05-14 16:56:21 UTC 6-Mercaptopurine SmallMolecule 6-Mercaptopurine is an organic compound with the formula C5H4N4S and an average molecular weight of 152.18 g/mol. 6-Mercaptopurine belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. The compound is found in or released from 15 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically antineoplastic agents and drugs for obstructive airway diseases. It is also associated with electrical and electronic equipment, such as amplifiers, antennas, coils, electric hearing aids, and line transmission systems, among three others. Other sources include food, food processing, and cookware, specifically the processing of fish and meats, as well as building and construction materials like ceilings. Additionally, it is found in household items such as credit card holders and household cleaning and consumer products, including soap dispensers. The recorded route of exposure for this compound is oral. Biologically, 6-Mercaptopurine acts on four recorded protein targets. It functions as an inhibitor of hypoxanthine-guanine phosphoribosyltransferase (HPRT1), amidophosphoribosyltransferase (PPAT), inosine-5'-monophosphate dehydrogenase 1 (IMPDH1), and inosine-5'-monophosphate dehydrogenase 2 (IMPDH2). mercaptopurine Mercaptopurine C5H4N4S 152.177 152.015666838 6,7-dihydro-3H-purine-6-thione mercaptopurine 50-44-2 S=C1N=CNC2=C1NC=N2 InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) GLVAUDGFNGKCSF-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Purinethiones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Organonitrogen compounds Organopnictogen compounds Organosulfur compounds Pyrimidinethiones Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Purinethione Pyrimidine Pyrimidinethione Aromatic heteropolycyclic compounds aryl thiol Detected and Not Quantified Azathioprine Action Pathway SMP0000427 Mercaptopurine Action Pathway SMP0000428 Thioguanine Action Pathway (old) SMP0000430 Mercaptopurine Metabolism Pathway SMP0000609 Azathioprine Metabolism Pathway SMP0000645 Mercaptopurine Action Pathway (New) SMP0126475 Azathioprine Action Pathway (New) SMP0126488 Mercaptopurine Drug Metabolism Action Pathway SMP0143462 logp -0.12 logp -0.13 ALOGPS logs -2.32 ALOGPS solubility 7.35e-01 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 2.99 ChemAxon iupac 6,7-dihydro-3H-purine-6-thione ChemAxon average_mass 152.177 ChemAxon mono_mass 152.015666838 ChemAxon smiles S=C1N=CNC2=C1NC=N2 ChemAxon formula C5H4N4S ChemAxon inchi InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) ChemAxon inchikey GLVAUDGFNGKCSF-UHFFFAOYSA-N ChemAxon polar_surface_area 53.07 ChemAxon refractivity 43.6 ChemAxon polarizability 14.04 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72679f7460> DB01033 667490 580869 BE0000077 BE0000374 BE0000722 BE0000761