1.0 2026-09-22 22:31:34 UTC 2026-09-22 22:31:34 UTC FDB118987 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol 2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol compound 52 C16H19ClN6O 346.815 346.130886967 2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(propan-2-yl)-6,9-dihydro-3H-purin-2-yl]amino}ethan-1-ol 2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-isopropyl-3H-purin-2-yl]amino}ethanol CC(C)N1C=NC2=C1NC(NCCO)=N\C2=N/C1=CC=CC(Cl)=C1 InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) XZEFMZCNXDQXOZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-aminopurines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds Alkanolamines Aminopyrimidines and derivatives Aniline and substituted anilines Aryl chlorides Azacyclic compounds Chlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organochlorides Organopnictogen compounds Primary alcohols Secondary alkylarylamines 6-aminopurine Alcohol Alkanolamine Amine Aminopyrimidine Aniline or substituted anilines Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Azole Benzenoid Chlorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Monocyclic benzene moiety N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrimidine Secondary aliphatic/aromatic amine Secondary amine logp 2.21 ALOGPS logs -3.05 ALOGPS solubility 3.07e-01 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_acidic 10.32 ChemAxon pka_strongest_basic 6.11 ChemAxon iupac 2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(propan-2-yl)-6,9-dihydro-3H-purin-2-yl]amino}ethan-1-ol ChemAxon average_mass 346.815 ChemAxon mono_mass 346.130886967 ChemAxon smiles CC(C)N1C=NC2=C1NC(NCCO)=N\C2=N/C1=CC=CC(Cl)=C1 ChemAxon formula C16H19ClN6O ChemAxon inchi InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22) ChemAxon inchikey XZEFMZCNXDQXOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.83 ChemAxon refractivity 96.47 ChemAxon polarizability 36.98 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 252846 Specdb::MsMs 252847 Specdb::MsMs 252848 Specdb::MsMs 272787 Specdb::MsMs 272788 Specdb::MsMs 272789 Specdb::CMs 113442 Specdb::CMs 127198 Specdb::CMs 950431 Specdb::CMs 950432 Specdb::CMs 950433 Specdb::CMs 950434 Specdb::CMs 950435 Specdb::CMs 950436