1.0 2016-09-30 23:09:27 UTC 2020-04-22 15:13:47 UTC BMDB0004400 BMDB04400 5-Acetylamino-6-amino-3-methyluracil 5-Acetylamino-6-amino-3-methyluracil, also known as 5-acetylamino-6-amino-3-methyluracil or 5-acetylamino-6-amino-3-methyluracil, belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group. 5-Acetylamino-6-amino-3-methyluracil is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). In cattle, 5-acetylamino-6-amino-3-methyluracil is involved in the metabolic pathway called the caffeine metabolism pathway. AAMU 5-AMMU C7H10N4O3 198.1793 198.075290206 N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide N-(4-amino-1-methyl-2,6-dioxo-3H-pyrimidin-5-yl)acetamide 19893-78-8 CN1C(=O)NC(N)=C(NC(C)=O)C1=O InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14) POQOTWQIYYNXAT-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group. Organic compounds Organic nitrogen compounds Organonitrogen compounds N-arylamides N-acetylarylamines Acetamides Amino acids and derivatives Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organopnictogen compounds Primary amines Pyrimidones Secondary carboxylic acid amides Ureas Vinylogous amides Acetamide Amine Amino acid or derivatives Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam N-acetylarylamine Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidine Pyrimidone Secondary carboxylic acid amide Urea Vinylogous amide Aromatic heteromonocyclic compounds aromatic amide Solid logp -1.05 ALOGPS logs -1.90 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 9.76 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide ChemAxon average_mass 198.1793 ChemAxon mono_mass 198.075290206 ChemAxon smiles CN1C(=O)NC(N)=C(NC(C)=O)C1=O ChemAxon formula C7H10N4O3 ChemAxon inchi InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14) ChemAxon inchikey POQOTWQIYYNXAT-UHFFFAOYSA-N ChemAxon polar_surface_area 104.53 ChemAxon refractivity 56.87 ChemAxon polarizability 18.36 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Caffeine Metabolism SMP0087186 Specdb::MsIr 2217 Specdb::MsIr 2218 Specdb::MsIr 2219 Specdb::CMs 13573 Specdb::CMs 136268 Specdb::CMs 144002 Specdb::MsMs 86670 Specdb::MsMs 86671 Specdb::MsMs 86672 Specdb::MsMs 149022 Specdb::MsMs 149023 Specdb::MsMs 149024 Specdb::MsMs 2227303 Specdb::MsMs 2227398 Specdb::MsMs 2229739 Specdb::MsMs 2229764 Specdb::MsMs 2232024 Specdb::MsMs 2232150 Specdb::MsMs 2234377 Specdb::MsMs 2234587 Specdb::MsMs 2257254 Specdb::MsMs 2257344 Specdb::MsMs 2271882 Specdb::MsMs 2271883 Specdb::MsMs 2271884 Specdb::MsMs 3067649 Specdb::MsMs 3067650 Specdb::MsMs 3067651 Specdb::NmrOneD 48282 Specdb::NmrOneD 48283 Specdb::NmrOneD 48284 Specdb::NmrOneD 48285 Specdb::NmrOneD 48286 Specdb::NmrOneD 48287 Specdb::NmrOneD 48288 Specdb::NmrOneD 48289 Specdb::NmrOneD 48290 Specdb::NmrOneD 48291 Specdb::NmrOneD 48292 Specdb::NmrOneD 48293 Specdb::NmrOneD 48294 Specdb::NmrOneD 48295 Specdb::NmrOneD 48296 Specdb::NmrOneD 48297 Specdb::NmrOneD 48298 Specdb::NmrOneD 48299 Specdb::NmrOneD 48300 Specdb::NmrOneD 48301 FDB023371 88299 79659 C16366