1.0 2011-09-21 00:29:48 UTC 2015-10-09 22:31:55 UTC FDB023426 FAPy-adenine Fapy-adenine is an oxidized DNA base. Oxidized nucleosides are biochemical markers for tumors, aging, and neurodegenerative diseases. (PMID 15116424) Oxidative stress damage to DNA bases may contribute to neuronal loss in Alzheimer's disease (AD). Increased levels were observed in parietal, temporal, occipital, and frontal lobe, superior temporal gyrus, and hippocampus areas of the brain in patients with AD. (PMID 9109533) [HMDB] 4,6-Diamino-5-(formylamino)pyrimidine 4,6-Diamino-5-formamidopyrimidine 4,6-Diamino-5-N-formamidopyrimidine 4,6-Diamino-5-pyrimidinylformamide FAPY Fapyade N-(4,6-diamino-5-pyrimidinyl)-Formamide N-(4,6-Diamino-5-pyrimidinyl)formamide C5H7N5O 153.142 153.065059871 N-(4,6-diaminopyrimidin-5-yl)formamide N-(4,6-diaminopyrimidin-5-yl)formamide 5122-36-1 NC1=NC=NC(N)=C1NC=O InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9) MVYUVUOSXNYQLL-UHFFFAOYSA-N belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino 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. Aminopyrimidines and derivatives Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compounds Azacyclic compounds Carboximidic acids Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Organooxygen compounds Organopnictogen compounds Primary amines Propargyl-type 1,3-dipolar organic compounds Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Carboximidic acid Carboximidic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Organic 1,3-dipolar compound Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Propargyl-type 1,3-dipolar organic compound aminopyrimidine formamidopyrimidine Solid logp -1.36 ALOGPS logs -1.25 ALOGPS solubility 8.67e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic 6.91 ChemAxon iupac N-(4,6-diaminopyrimidin-5-yl)formamide ChemAxon average_mass 153.142 ChemAxon mono_mass 153.065059871 ChemAxon smiles NC1=NC=NC(N)=C1NC=O ChemAxon formula C5H7N5O ChemAxon inchi InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9) ChemAxon inchikey MVYUVUOSXNYQLL-UHFFFAOYSA-N ChemAxon polar_surface_area 106.92 ChemAxon refractivity 43.12 ChemAxon polarizability 13.85 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1943 Specdb::MsIr 2245 Specdb::MsIr 2246 Specdb::MsIr 2247 Specdb::CMs 13637 Specdb::CMs 131958 Specdb::CMs 139692 Specdb::MsMs 2412 Specdb::MsMs 2413 Specdb::MsMs 2414 Specdb::MsMs 296062 Specdb::MsMs 296063 Specdb::MsMs 296064 Specdb::MsMs 337267 Specdb::MsMs 337268 Specdb::MsMs 337269 Specdb::MsMs 2432197 Specdb::MsMs 2432198 Specdb::MsMs 2432199 Specdb::MsMs 2503466 Specdb::MsMs 2503467 Specdb::MsMs 2503468 Specdb::NmrOneD 2008 Specdb::NmrOneD 54502 Specdb::NmrOneD 54503 Specdb::NmrOneD 54504 Specdb::NmrOneD 54505 Specdb::NmrOneD 54506 Specdb::NmrOneD 54507 Specdb::NmrOneD 54508 Specdb::NmrOneD 54509 Specdb::NmrOneD 54510 Specdb::NmrOneD 54511 Specdb::NmrOneD 54512 Specdb::NmrOneD 54513 Specdb::NmrOneD 54514 Specdb::NmrOneD 54515 Specdb::NmrOneD 54516 Specdb::NmrOneD 54517 Specdb::NmrOneD 54518 Specdb::NmrOneD 54519 Specdb::NmrOneD 54520 Specdb::NmrOneD 54521 Specdb::NmrOneD 166353 Specdb::NmrOneD 166534 HMDB04816 #<Reference:0x000055ce32985a48> #<Reference:0x000055ce32985840> 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