1.0 2011-09-21 01:31:28 UTC 2015-07-21 06:59:16 UTC FDB027888 5-Acetylamino-6-formylamino-3-methyluracil 5-Acetylamino-6-formylamino-3-methyluracil participates in Caffeine metabolism. 5-Acetylamino-6-formylamino-3-methyluracil is converted from paraxanthine via arylamine N-acetyltransferase [EC:2.3.1.5] [HMDB] AFMU C8H10N4O4 226.1894 226.070204828 N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide AFMU 85438-96-6 CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16) RDZNZFGKEVDNPK-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Hydroxypyrimidines Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrimidones Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Hydroxypyrimidine Lactam Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrimidone formamidopyrimidine Solid logp -0.74 ALOGPS logs -2.63 ALOGPS solubility 5.34e-01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 9.02 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide ChemAxon average_mass 226.1894 ChemAxon mono_mass 226.070204828 ChemAxon smiles CN1C(=O)NC(NC=O)=C(NC(C)=O)C1=O ChemAxon formula C8H10N4O4 ChemAxon inchi InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16) ChemAxon inchikey RDZNZFGKEVDNPK-UHFFFAOYSA-N ChemAxon polar_surface_area 107.61 ChemAxon refractivity 61.82 ChemAxon polarizability 20.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Caffeine Metabolism SMP00028 map00232 Specdb::CMs 12474 Specdb::CMs 161567 Specdb::NmrOneD 92632 Specdb::NmrOneD 92633 Specdb::NmrOneD 92634 Specdb::NmrOneD 92635 Specdb::NmrOneD 92636 Specdb::NmrOneD 92637 Specdb::NmrOneD 92638 Specdb::NmrOneD 92639 Specdb::NmrOneD 92640 Specdb::NmrOneD 92641 Specdb::NmrOneD 92642 Specdb::NmrOneD 92643 Specdb::NmrOneD 92644 Specdb::NmrOneD 92645 Specdb::NmrOneD 92646 Specdb::NmrOneD 92647 Specdb::NmrOneD 92648 Specdb::NmrOneD 92649 Specdb::NmrOneD 92650 Specdb::NmrOneD 92651 Specdb::MsMs 91353 Specdb::MsMs 91354 Specdb::MsMs 91355 Specdb::MsMs 154725 Specdb::MsMs 154726 Specdb::MsMs 154727 Specdb::MsMs 2305323 Specdb::MsMs 2305324 Specdb::MsMs 2305325 Specdb::MsMs 2657743 Specdb::MsMs 2657744 Specdb::MsMs 2657745 HMDB11105 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 Arylamine N-acetyltransferase 1 P18440 NAT1 Arylamine N-acetyltransferase 2 P11245 NAT2