1.0 2020-04-06 11:06:34 UTC 2025-11-19 03:10:33 UTC FDB111676 Endalin C9H12FN3O3 229.2083 229.08626947 5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol 5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-4-iminopyrimidin-2-ol OCC1CCC(O1)N1C=C(F)C(=N)N=C1O InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15) QBEIABZPRBJOFU-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. Pyrimidine 2',3'-dideoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3. Pyrimidine 2',3'-dideoxyribonucleosides Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Pyrimidine 2',3'-dideoxyribonucleosides Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Aryl fluorides Azacyclic compounds Halopyrimidines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Organic oxides Organofluorides Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Pyrimidones Tetrahydrofurans Alcohol Amine Aminopyrimidine Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Halopyrimidine Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Pyrimidine Pyrimidine 2',3'-dideoxyribonucleoside Pyrimidone Tetrahydrofuran logp -0.56 ALOGPS logs -2.99 ALOGPS solubility 2.32e-01 g/l ALOGPS logp -0.011 ChemAxon pka_strongest_acidic 5.59 ChemAxon pka_strongest_basic 0.29 ChemAxon iupac 5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol ChemAxon average_mass 229.2083 ChemAxon mono_mass 229.08626947 ChemAxon smiles OCC1CCC(O1)N1C=C(F)C(=N)N=C1O ChemAxon formula C9H12FN3O3 ChemAxon inchi InChI=1S/C9H12FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h3,5,7,14H,1-2,4H2,(H2,11,12,15) ChemAxon inchikey QBEIABZPRBJOFU-UHFFFAOYSA-N ChemAxon polar_surface_area 89.14 ChemAxon refractivity 63.86 ChemAxon polarizability 21.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 50342 Specdb::NmrOneD 50343 Specdb::NmrOneD 50344 Specdb::NmrOneD 50345 Specdb::NmrOneD 50346 Specdb::NmrOneD 50347 Specdb::NmrOneD 50348 Specdb::NmrOneD 50349 Specdb::NmrOneD 50350 Specdb::NmrOneD 50351 Specdb::NmrOneD 50352 Specdb::NmrOneD 50353 Specdb::NmrOneD 50354 Specdb::NmrOneD 50355 Specdb::NmrOneD 50356 Specdb::NmrOneD 50357 Specdb::NmrOneD 50358 Specdb::NmrOneD 50359 Specdb::NmrOneD 50360 Specdb::NmrOneD 50361 Specdb::CMs 21274 Specdb::CMs 47602 Specdb::CMs 119331 Specdb::CMs 119516 Specdb::CMs 154452 Specdb::CMs 811191 Specdb::CMs 811192 Specdb::CMs 811193 Specdb::CMs 811194 Specdb::CMs 811195 Specdb::CMs 811196 Specdb::CMs 811197 Specdb::CMs 811198 Specdb::MsMs 313318 Specdb::MsMs 313319 Specdb::MsMs 313320 Specdb::MsMs 358783 Specdb::MsMs 358784 Specdb::MsMs 358785 Specdb::MsMs 2470416 Specdb::MsMs 2470417 Specdb::MsMs 2470418 Specdb::MsMs 2494649 Specdb::MsMs 2494650 Specdb::MsMs 2494651 HMDB0041887 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823