1.0 2010-04-08 22:15:14 UTC 2018-05-29 01:48:01 UTC FDB020750 2-Methoxy-3,5-dimethylpyrimidine Microbiol. production causing objectionable odour in foods 2-Methoxy-3,5-dimethylpyrimidine, 9CI C7H10N2O 138.1671 138.079312952 2-methoxy-3,5-dimethylpyrazine 2-methoxy-3,5-dimethylpyrazine 92508-08-2 COC1=C(C)N=C(C)C=N1 InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3 BXKLSVWRSUPMBO-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. Methoxypyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Alkyl aryl ethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkyl aryl ether Aromatic heteromonocyclic compound Azacycle Ether Heteroaromatic compound Hydrocarbon derivative Methoxypyrazine Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 1.29 ALOGPS logs -0.15 ALOGPS solubility 9.74e+01 g/l ALOGPS logp 0.24 ChemAxon pka_strongest_basic 1.78 ChemAxon iupac 2-methoxy-3,5-dimethylpyrazine ChemAxon average_mass 138.1671 ChemAxon mono_mass 138.079312952 ChemAxon smiles COC1=C(C)N=C(C)C=N1 ChemAxon formula C7H10N2O ChemAxon inchi InChI=1S/C7H10N2O/c1-5-4-8-7(10-3)6(2)9-5/h4H,1-3H3 ChemAxon inchikey BXKLSVWRSUPMBO-UHFFFAOYSA-N ChemAxon polar_surface_area 35.01 ChemAxon refractivity 37.7 ChemAxon polarizability 14.77 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19887 Specdb::CMs 134278 Specdb::CMs 142012 Specdb::NmrOneD 44062 Specdb::NmrOneD 44063 Specdb::NmrOneD 44064 Specdb::NmrOneD 44065 Specdb::NmrOneD 44066 Specdb::NmrOneD 44067 Specdb::NmrOneD 44068 Specdb::NmrOneD 44069 Specdb::NmrOneD 44070 Specdb::NmrOneD 44071 Specdb::NmrOneD 44072 Specdb::NmrOneD 44073 Specdb::NmrOneD 44074 Specdb::NmrOneD 44075 Specdb::NmrOneD 44076 Specdb::NmrOneD 44077 Specdb::NmrOneD 44078 Specdb::NmrOneD 44079 Specdb::NmrOneD 44080 Specdb::NmrOneD 44081 Specdb::MsIr 9092 Specdb::MsIr 9093 Specdb::MsMs 310294 Specdb::MsMs 310295 Specdb::MsMs 310296 Specdb::MsMs 354955 Specdb::MsMs 354956 Specdb::MsMs 354957 Specdb::MsMs 2426962 Specdb::MsMs 2426963 Specdb::MsMs 2426964 Specdb::MsMs 2512227 Specdb::MsMs 2512228 Specdb::MsMs 2512229 HMDB40911 #<Reference:0x000055ce322c3430>