1.0 2026-09-21 17:48:35 UTC 2026-09-21 17:48:35 UTC FDB116839 Barbital sodium sodium 5,5-diethyl-4,6-dioxo-1H-pyrimidin-2-olate C8H11N2NaO3 206.177 206.0667365 sodium 5,5-diethyl-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate sodium 5,5-diethyl-6-hydroxy-2-oxopyrimidin-4-olate [Na+].CCC1(CC)C(O)=NC(=O)N=C1[O-] InChI=1S/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1 RGHFKWPGWBFQLN-UHFFFAOYSA-M belongs to the class of organic compounds known as barbituric acid derivatives. Barbituric acid derivatives are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups. Barbituric acid derivatives Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aliphatic heteromonocyclic compounds Azacyclic compounds Carbene-type 1,3-dipolar compounds Carbonyl compounds Diazinanes Dicarboximides Hydrocarbon derivatives N-acyl ureas Organic oxides Organic sodium salts Organonitrogen compounds Organopnictogen compounds 1,3-diazinane Aliphatic heteromonocyclic compound Azacycle Barbiturate Carbene-type 1,3-dipolar compound Carbonic acid derivative Carbonyl group Carboxylic acid derivative Dicarboximide Hydrocarbon derivative N-acyl urea Organic 1,3-dipolar compound Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organonitrogen compound Organooxygen compound Organopnictogen compound Ureide logp 0.90 ALOGPS logs -2.17 ALOGPS solubility 1.41e+00 g/l ALOGPS logp 1.45 ChemAxon pka_strongest_acidic 1.42 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac sodium 5,5-diethyl-6-hydroxy-2-oxo-2,5-dihydropyrimidin-4-olate ChemAxon average_mass 206.177 ChemAxon mono_mass 206.0667365 ChemAxon smiles [Na+].CCC1(CC)C(O)=NC(=O)N=C1[O-] ChemAxon formula C8H11N2NaO3 ChemAxon inchi InChI=1S/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1 ChemAxon inchikey RGHFKWPGWBFQLN-UHFFFAOYSA-M ChemAxon polar_surface_area 85.08 ChemAxon refractivity 55.45 ChemAxon polarizability 17.16 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1323157 Specdb::MsMs 1323158 Specdb::MsMs 1323159 Specdb::MsMs 1437523 Specdb::MsMs 1437524 Specdb::MsMs 1437525