1.0 2016-09-30 22:40:43 UTC 2020-04-22 15:06:35 UTC BMDB0001069 BMDB01069 2-Phenylaminoadenosine 6-amino-2-phenylamino-9-b-D-Ribofuranosyl-9H-purine 6-amino-2-phenylamino-9-beta-delta-Ribofuranosyl-9H-purine 2-Phenylaminoadenosine C16H18N6O4 358.3519 358.138953094 2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 53296-10-9 NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC(NC2=CC=CC=C2)=N1 InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) SCNILGOVBBRMBK-UHFFFAOYSA-N belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Benzene and substituted derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Primary amines Secondary alcohols Tetrahydrofurans 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Monocyclic benzene moiety Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Primary amine Purine Purine nucleoside Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds Solid logp 0.22 ALOGPS logs -1.96 ALOGPS logp 0.028 ChemAxon pka_strongest_acidic 12.42 ChemAxon pka_strongest_basic 3.86 ChemAxon iupac 2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol ChemAxon average_mass 358.3519 ChemAxon mono_mass 358.138953094 ChemAxon smiles NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC(NC2=CC=CC=C2)=N1 ChemAxon formula C16H18N6O4 ChemAxon inchi InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21) ChemAxon inchikey SCNILGOVBBRMBK-UHFFFAOYSA-N ChemAxon polar_surface_area 151.57 ChemAxon refractivity 91.63 ChemAxon polarizability 36.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1582 Specdb::CMs 20540 Specdb::CMs 37916 Specdb::CMs 127345 Specdb::CMs 132996 Specdb::CMs 140730 Specdb::CMs 866056 Specdb::CMs 866057 Specdb::CMs 866058 Specdb::CMs 866059 Specdb::CMs 866060 Specdb::CMs 866061 Specdb::CMs 866062 Specdb::CMs 866063 Specdb::CMs 866064 Specdb::CMs 866065 Specdb::CMs 866066 Specdb::CMs 866067 Specdb::CMs 866068 Specdb::CMs 866069 Specdb::CMs 866070 Specdb::CMs 866071 Specdb::CMs 866072 Specdb::CMs 866073 Specdb::CMs 866074 Specdb::CMs 866075 Specdb::MsMs 1415 Specdb::MsMs 1416 Specdb::MsMs 1417 Specdb::MsMs 311749 Specdb::MsMs 311750 Specdb::MsMs 311751 Specdb::MsMs 356833 Specdb::MsMs 356834 Specdb::MsMs 356835 Specdb::MsMs 2732814 Specdb::MsMs 2732815 Specdb::MsMs 2732816 Specdb::MsMs 2972373 Specdb::MsMs 2972374 Specdb::MsMs 2972375 Specdb::NmrOneD 1641 Specdb::NmrOneD 146270 Specdb::NmrOneD 146271 Specdb::NmrOneD 146272 Specdb::NmrOneD 146273 Specdb::NmrOneD 146274 Specdb::NmrOneD 146275 Specdb::NmrOneD 146276 Specdb::NmrOneD 146277 Specdb::NmrOneD 146278 Specdb::NmrOneD 146279 Specdb::NmrOneD 146280 Specdb::NmrOneD 146281 Specdb::NmrOneD 146282 Specdb::NmrOneD 146283 Specdb::NmrOneD 146284 Specdb::NmrOneD 146285 Specdb::NmrOneD 146286 Specdb::NmrOneD 146287 Specdb::NmrOneD 146288 Specdb::NmrOneD 146289 FDB022408 1528 1585 91804 5981 Omura, Kiyoshi; Marumoto, Ryuji; Furukawa, Yoshiyasu. Synthesis of 2-phenylaminoadenosine from imidazole nucleosides. Chemical & Pharmaceutical Bulletin (1981), 29(7), 1870-5.