1.0 2016-09-30 22:51:40 UTC 2020-04-22 15:09:54 UTC BMDB0002144 BMDB02144 1,3-Dimethyluracil 2,4-Dihydroxy-1,3-dimethylpyrimidine N,N'-dimethyluracil N1,N3-Dimethyluracil 1, 3-Dimethyl-2,4(1H,3H)-pyrimidinedione 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione C6H8N2O2 140.1399 140.05857751 1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione 1,3-dimethyluracil 874-14-6 CN1C=CC(=O)N(C)C1=O InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 JSDBKAHWADVXFU-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Ureas Vinylogous amides Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidone Urea Vinylogous amide Aromatic heteromonocyclic compounds pyrimidone Solid melting_point 120 °C logp -0.54 HANSCH,C ET AL. (1995) logp -0.81 ALOGPS logs 0.28 ALOGPS logp -0.41 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon average_mass 140.1399 ChemAxon mono_mass 140.05857751 ChemAxon smiles CN1C=CC(=O)N(C)C1=O ChemAxon formula C6H8N2O2 ChemAxon inchi InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3 ChemAxon inchikey JSDBKAHWADVXFU-UHFFFAOYSA-N ChemAxon polar_surface_area 40.62 ChemAxon refractivity 35.76 ChemAxon polarizability 13.45 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 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 Specdb::CMs 19720 Specdb::CMs 159181 Specdb::MsIr 1646 Specdb::MsIr 1647 Specdb::NmrTwoD 1799 Specdb::MsMs 309868 Specdb::MsMs 309869 Specdb::MsMs 309870 Specdb::MsMs 354418 Specdb::MsMs 354419 Specdb::MsMs 354420 Specdb::MsMs 2255656 Specdb::MsMs 2256981 Specdb::MsMs 2257597 Specdb::MsMs 2414608 Specdb::MsMs 2414609 Specdb::MsMs 2414610 Specdb::MsMs 2551886 Specdb::MsMs 2551887 Specdb::MsMs 2551888 Specdb::NmrOneD 1859 Specdb::NmrOneD 10102 Specdb::NmrOneD 10103 Specdb::NmrOneD 10104 Specdb::NmrOneD 10105 Specdb::NmrOneD 10106 Specdb::NmrOneD 10107 Specdb::NmrOneD 10108 Specdb::NmrOneD 10109 Specdb::NmrOneD 10110 Specdb::NmrOneD 10111 Specdb::NmrOneD 10112 Specdb::NmrOneD 10113 Specdb::NmrOneD 10114 Specdb::NmrOneD 10115 Specdb::NmrOneD 10116 Specdb::NmrOneD 10117 Specdb::NmrOneD 10118 Specdb::NmrOneD 10119 Specdb::NmrOneD 10120 Specdb::NmrOneD 10121 FDB022866 63310 70122 74763 Harada, Kaoru; Suzuki, Shinnichiro. The new synthesis of uracil and 1,3-dimethyluracil. Tetrahedron Letters (1976), (27), 2321-2.