1.0 2016-09-30 22:30:06 UTC 2020-04-22 15:03:24 UTC BMDB0000403 BMDB00403 2-Hydroxyadenine 2-Oxoadenine 6-Amino-1,3-dihydro-2H-purin-2-one 6-Amino-3,7-dihydro-purin-2-one 6-Amino-3,9-dihydro-2H-purin-2-one 6-Amino-7H-purin-2-ol 6-Amino-9H-purin-2-ol 2-Hydroxy-6-aminopurine 2-Oxyadenine 6-Amino-2-hydroxypurine 6-Amino-3,7(9)-dihydro-purin-2-one Isoguanine 2-OH-Ade Crotonoside 2-Hydroxyadenine C5H5N5O 151.1261 151.049409807 6-amino-7H-purin-2-ol 2-hydroxy-6-aminopurine 3373-53-3 NC1=NC(O)=NC2=C1NC=N2 InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) DRAVOWXCEBXPTN-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. Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Imidazoles Imidolactams Organooxygen compounds Organopnictogen compounds Primary amines 6-aminopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidazole Imidolactam Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidine Aromatic heteropolycyclic compounds a small molecule oxopurine Solid melting_point > 360 °C water_solubility 0.0625 mg/mL logp -0.65 ALOGPS logs -1.33 ALOGPS logp -0.2 ChemAxon pka_strongest_acidic 10.78 ChemAxon pka_strongest_basic 2.02 ChemAxon iupac 6-amino-7H-purin-2-ol ChemAxon average_mass 151.1261 ChemAxon mono_mass 151.049409807 ChemAxon smiles NC1=NC(O)=NC2=C1NC=N2 ChemAxon formula C5H5N5O ChemAxon inchi InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11) ChemAxon inchikey DRAVOWXCEBXPTN-UHFFFAOYSA-N ChemAxon polar_surface_area 100.71 ChemAxon refractivity 40.15 ChemAxon polarizability 13.36 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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::MsIr 484 Specdb::MsIr 485 Specdb::MsIr 486 Specdb::CMs 9743 Specdb::CMs 37503 Specdb::CMs 135682 Specdb::CMs 143416 Specdb::CMs 1060715 Specdb::CMs 1060717 Specdb::CMs 1060719 Specdb::CMs 1060721 Specdb::CMs 1060722 Specdb::NmrOneD 6722 Specdb::NmrOneD 6723 Specdb::NmrOneD 6724 Specdb::NmrOneD 6725 Specdb::NmrOneD 6726 Specdb::NmrOneD 6727 Specdb::NmrOneD 6728 Specdb::NmrOneD 6729 Specdb::NmrOneD 6730 Specdb::NmrOneD 6731 Specdb::NmrOneD 6732 Specdb::NmrOneD 6733 Specdb::NmrOneD 6734 Specdb::NmrOneD 6735 Specdb::NmrOneD 6736 Specdb::NmrOneD 6737 Specdb::NmrOneD 6738 Specdb::NmrOneD 6739 Specdb::NmrOneD 6740 Specdb::NmrOneD 6741 Specdb::MsMs 612 Specdb::MsMs 613 Specdb::MsMs 614 Specdb::MsMs 287524 Specdb::MsMs 287525 Specdb::MsMs 287526 Specdb::MsMs 326395 Specdb::MsMs 326396 Specdb::MsMs 326397 Specdb::MsMs 2736725 Specdb::MsMs 2736726 Specdb::MsMs 2736727 Specdb::MsMs 2969513 Specdb::MsMs 2969514 Specdb::MsMs 2969515 FDB022019 69351 76900 62462 C00050937 Isoguanine 5392 Hayashi, Taketo; Tamato, Toyomochi. Preparation of isoguanine. Jpn. Kokai Tokkyo Koho (1994), 3 pp.