1.0 2019-10-15 22:57:54 UTC 2025-11-19 03:06:44 UTC FDB093665 6-amino-5-(N-methylformylamino)-1-Methyluracil C7H10N4O3 198.1793 198.075290206 N-(6-amino-4-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)ethanimidic acid N-(6-amino-4-hydroxy-1-methyl-2-oxopyrimidin-5-yl)ethanimidic acid CN1C(=O)N=C(O)C(N=C(C)O)=C1N InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14) XWCBQDPCEYHYRB-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. N-acetylarylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds N-arylamides Aromatic heteromonocyclic compounds 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 logp -0.80 ALOGPS logs -2.22 ALOGPS solubility 1.18e+00 g/l ALOGPS logp -1 ChemAxon pka_strongest_acidic 5.48 ChemAxon pka_strongest_basic 1.78 ChemAxon iupac N-(6-amino-4-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)ethanimidic acid ChemAxon average_mass 198.1793 ChemAxon mono_mass 198.075290206 ChemAxon smiles CN1C(=O)N=C(O)C(N=C(C)O)=C1N ChemAxon formula C7H10N4O3 ChemAxon inchi InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)11(2)7(14)10-6(4)13/h8H2,1-2H3,(H,9,12)(H,10,13,14) ChemAxon inchikey XWCBQDPCEYHYRB-UHFFFAOYSA-N ChemAxon polar_surface_area 111.51 ChemAxon refractivity 57.71 ChemAxon polarizability 18.39 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36798 Specdb::CMs 162717 Specdb::MsIr 9648 Specdb::MsIr 9649 Specdb::MsIr 9650 Specdb::MsMs 916957 Specdb::MsMs 916958 Specdb::MsMs 916959 Specdb::MsMs 965752 Specdb::MsMs 965753 Specdb::MsMs 965754 Specdb::MsMs 2838333 Specdb::MsMs 2838334 Specdb::MsMs 2838335 Specdb::MsMs 2867643 Specdb::MsMs 2867644 Specdb::MsMs 2867645 Specdb::NmrOneD 52702 Specdb::NmrOneD 52703 Specdb::NmrOneD 52704 Specdb::NmrOneD 52705 Specdb::NmrOneD 52706 Specdb::NmrOneD 52707 Specdb::NmrOneD 52708 Specdb::NmrOneD 52709 Specdb::NmrOneD 52710 Specdb::NmrOneD 52711 Specdb::NmrOneD 52712 Specdb::NmrOneD 52713 Specdb::NmrOneD 52714 Specdb::NmrOneD 52715 Specdb::NmrOneD 52716 Specdb::NmrOneD 52717 Specdb::NmrOneD 52718 Specdb::NmrOneD 52719 Specdb::NmrOneD 52720 Specdb::NmrOneD 52721 HMDB0059771 FOBI:030666