1.0 2010-04-08 22:12:45 UTC 2019-11-26 03:14:00 UTC FDB016964 4-Acetyl-2-methylpyrimidine 4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods. 1-(2-Methyl-4-pyrimidinyl)-ethanone 1-(2-Methyl-4-pyrimidinyl)ethanone 1-(2-Methyl-4-pyrimidinyl)ethanone, 9CI 2-Methyl-4-acetylpyrimidine Ethanone, 1-(2-methyl-4-pyrimidinyl)- FEMA 3654 C7H8N2O 136.1512 136.063662888 1-(2-methylpyrimidin-4-yl)ethan-1-one 1-(2-methylpyrimidin-4-yl)ethanone 67860-38-2 CC(=O)C1=NC(C)=NC=C1 InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3 ZADBZWAGUOHTAB-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrimidine logp 0.64 ALOGPS logs -0.51 ALOGPS solubility 4.23e+01 g/l ALOGPS logp 0.41 ChemAxon pka_strongest_acidic 14.77 ChemAxon pka_strongest_basic 0.94 ChemAxon iupac 1-(2-methylpyrimidin-4-yl)ethan-1-one ChemAxon average_mass 136.1512 ChemAxon mono_mass 136.063662888 ChemAxon smiles CC(=O)C1=NC(C)=NC=C1 ChemAxon formula C7H8N2O ChemAxon inchi InChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3 ChemAxon inchikey ZADBZWAGUOHTAB-UHFFFAOYSA-N ChemAxon polar_surface_area 42.85 ChemAxon refractivity 37.38 ChemAxon polarizability 14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17320 Specdb::CMs 171381 Specdb::MsIr 7679 Specdb::MsIr 7680 Specdb::NmrOneD 23082 Specdb::NmrOneD 23083 Specdb::NmrOneD 23084 Specdb::NmrOneD 23085 Specdb::NmrOneD 23086 Specdb::NmrOneD 23087 Specdb::NmrOneD 23088 Specdb::NmrOneD 23089 Specdb::NmrOneD 23090 Specdb::NmrOneD 23091 Specdb::NmrOneD 23092 Specdb::NmrOneD 23093 Specdb::NmrOneD 23094 Specdb::NmrOneD 23095 Specdb::NmrOneD 23096 Specdb::NmrOneD 23097 Specdb::NmrOneD 23098 Specdb::NmrOneD 23099 Specdb::NmrOneD 23100 Specdb::NmrOneD 23101 Specdb::MsMs 97050 Specdb::MsMs 97051 Specdb::MsMs 97052 Specdb::MsMs 161691 Specdb::MsMs 161692 Specdb::MsMs 161693 Specdb::MsMs 2323006 Specdb::MsMs 2323007 Specdb::MsMs 2323008 Specdb::MsMs 2616423 Specdb::MsMs 2616424 Specdb::MsMs 2616425 HMDB37819 #<Reference:0x000055ce32aab238> burnt meaty