1.0 2026-09-21 13:27:31 UTC 2026-09-21 13:27:31 UTC FDB116505 meta-topolin 3-[(7H-purin-6-ylamino)methyl]phenol C12H11N5O 241.254 241.096359994 3-{[(9H-purin-6-yl)amino]methyl}phenol adenine,6N-M-hydroxybenzyl OC1=CC=CC(CNC2=C3N=CNC3=NC=N2)=C1 InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17) BUDWTFCZGZYQHZ-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. 6-alkylaminopurines Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Amines Aminopyrimidines and derivatives Azacyclic compounds Benzylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 6-alkylaminopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzylamine Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Phenol Pyrimidine logp 1.34 ALOGPS logs -3.36 ALOGPS solubility 1.05e-01 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_acidic 9.28 ChemAxon pka_strongest_basic 5.06 ChemAxon iupac 3-{[(9H-purin-6-yl)amino]methyl}phenol ChemAxon average_mass 241.254 ChemAxon mono_mass 241.096359994 ChemAxon smiles OC1=CC=CC(CNC2=C3N=CNC3=NC=N2)=C1 ChemAxon formula C12H11N5O ChemAxon inchi InChI=1S/C12H11N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,6-7,18H,5H2,(H2,13,14,15,16,17) ChemAxon inchikey BUDWTFCZGZYQHZ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.72 ChemAxon refractivity 68.69 ChemAxon polarizability 24.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon