1.0 2016-10-03 18:34:18 UTC 2020-04-22 15:49:05 UTC BMDB0012215 BMDB12215 Dihydrozeatin 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol N6-(4-Hydroxyisopentanyl)adenine (2S)-2-Methyl-4-[(7H-purin-6-yl)amino]butan-1-ol 2-Methyl-4-(9H-purin-6-ylamino)-1-butanol 6-(4-Hydroxy-3-methylbutylamino)purine Dihydrozeatin C10H15N5O 221.259 221.127660127 (2S)-2-methyl-4-[(1H-purin-6-yl)amino]butan-1-ol (2S)-2-methyl-4-(1H-purin-6-ylamino)butan-1-ol 14742-97-3 C[C@H](CO)CCNC1=C2N=CN=C2N=CN1 InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1 XXFACTAYGKKOQB-ZETCQYMHSA-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. Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Organopnictogen compounds Primary alcohols Secondary alkylarylamines 6-alkylaminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrimidine Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds Solid logp -0.32 ALOGPS logs -2.67 ALOGPS logp -0.17 ChemAxon pka_strongest_acidic 6.12 ChemAxon pka_strongest_basic 0.4 ChemAxon iupac (2S)-2-methyl-4-[(1H-purin-6-yl)amino]butan-1-ol ChemAxon average_mass 221.259 ChemAxon mono_mass 221.127660127 ChemAxon smiles C[C@H](CO)CCNC1=C2N=CN=C2N=CN1 ChemAxon formula C10H15N5O ChemAxon inchi InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1 ChemAxon inchikey XXFACTAYGKKOQB-ZETCQYMHSA-N ChemAxon polar_surface_area 86.72 ChemAxon refractivity 62.68 ChemAxon polarizability 23.59 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 15552 Specdb::CMs 39869 Specdb::MsMs 300433 Specdb::MsMs 300434 Specdb::MsMs 300435 Specdb::MsMs 342706 Specdb::MsMs 342707 Specdb::MsMs 342708 FDB001400 388705 C02029 439631 17874 C00000093 CPD-332