1.0 2010-04-08 22:10:58 UTC 2019-11-26 03:09:13 UTC FDB013890 Olomoucine Constituent of the cotyledons of radish. Olomoucine is found in root vegetables. 2-(2-Hydroxyethylamino)-6-benzylamino-9-isopropylpurine 2-(2-Hydroxyethylamino)-6-benzylamino-9-methylpurine 2-(Hydroxyethylamino)-6-benzylamino-9-methylpurine 2-[[9-methyl-6-(phenylmethylamino)purin-2-yl]amino]ethanol 2-[[9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]ethanol, 9CI 4erk 6-(Benzylamino)-2-(2-hydroxyethylamino)-9-methylpurine 6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurine 6-benzylamino-2-[2-hydroxyethylamino]-9-methylpurine OLO olomoucine C15H18N6O 298.343 298.154209228 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol olomoucine 101622-51-9 CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20) GTVPOLSIJWJJNY-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 Alkanolamines Aminopyrimidines and derivatives Azacyclic compounds Benzylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Primary alcohols Secondary alkylarylamines 6-alkylaminopurine Alcohol Alkanolamine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Benzylamine Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Monocyclic benzene moiety N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrimidine Secondary aliphatic/aromatic amine Secondary amine a small molecule logp 1.58 ALOGPS logs -2.77 ALOGPS solubility 5.09e-01 g/l ALOGPS melting_point Mp 126° logp 1.18 ChemAxon pka_strongest_acidic 14.85 ChemAxon pka_strongest_basic 5.63 ChemAxon iupac 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol ChemAxon average_mass 298.343 ChemAxon mono_mass 298.154209228 ChemAxon smiles CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 ChemAxon formula C15H18N6O ChemAxon inchi InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20) ChemAxon inchikey GTVPOLSIJWJJNY-UHFFFAOYSA-N ChemAxon polar_surface_area 87.89 ChemAxon refractivity 88.03 ChemAxon polarizability 32.85 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103578 Specdb::MsMs 103579 Specdb::MsMs 103580 Specdb::MsMs 169650 Specdb::MsMs 169651 Specdb::MsMs 169652 Specdb::MsMs 2345012 Specdb::MsMs 2345013 Specdb::MsMs 2345014 Specdb::MsMs 2589790 Specdb::MsMs 2589791 Specdb::MsMs 2589792 Specdb::CMs 24017 Specdb::CMs 44270 Specdb::CMs 130635 Specdb::CMs 138369 HMDB35233 OLO #<Reference:0x000055ce30c55860> #<Reference:0x000055ce30c55630> #<Reference:0x000055ce30c55450> #<Reference:0x000055ce30c55248> Root vegetables Unknown generic Cell division protein kinase 1 P06493 CDK1 Cell division protein kinase 2 P24941 CDK2 Cell division protein kinase 5 Q00535 CDK5