1.0 2010-04-08 22:09:29 UTC 2025-11-18 23:24:50 UTC FDB011136 Pyrimethanil Fungicide used on grape vines. 2-Anilino-4,6-dimethylpyrimidine 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl- 4,6-dimethyl-N-phenyl-2-pyrimidinamine 4,6-dimethyl-N-phenylpyrimidin-2-amine Mythos N-(4,6-Dimethylpyrimidin-2-yl)aniline Pyrimethanil Pyrimethanil [iso] Pyrimethanil, BSI Scala SN 100309 ZK 100309 C12H13N3 199.2517 199.110947431 4,6-dimethyl-N-phenylpyrimidin-2-amine pyrimethanil 53112-28-0 CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ZLIBICFPKPWGIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Aniline and substituted anilines Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organopnictogen compounds Secondary amines Amine Aminopyrimidine Aniline or substituted anilines Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrimidine Secondary amine Pyrimidine fungicides aminopyrimidine anilinopyrimidine fungicide secondary amino compound logp 3.02 ALOGPS logs -3.02 ALOGPS solubility 1.91e-01 g/l ALOGPS melting_point Mp 88-89° logp 2.43 ChemAxon pka_strongest_acidic 13.67 ChemAxon pka_strongest_basic 3.96 ChemAxon iupac 4,6-dimethyl-N-phenylpyrimidin-2-amine ChemAxon average_mass 199.2517 ChemAxon mono_mass 199.110947431 ChemAxon smiles CC1=CC(C)=NC(NC2=CC=CC=C2)=N1 ChemAxon formula C12H13N3 ChemAxon inchi InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15) ChemAxon inchikey ZLIBICFPKPWGIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.81 ChemAxon refractivity 60.34 ChemAxon polarizability 22.5 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5985 Specdb::MsIr 5986 Specdb::MsIr 5987 Specdb::CMs 13241 Specdb::CMs 133196 Specdb::CMs 140930 Specdb::MsMs 61413 Specdb::MsMs 61414 Specdb::MsMs 61415 Specdb::MsMs 117939 Specdb::MsMs 117940 Specdb::MsMs 117941 Specdb::MsMs 442729 Specdb::MsMs 442730 Specdb::MsMs 442731 Specdb::MsMs 442732 Specdb::MsMs 442733 Specdb::MsMs 442734 Specdb::MsMs 442735 Specdb::MsMs 442736 Specdb::MsMs 442737 Specdb::MsMs 442738 Specdb::MsMs 442739 Specdb::MsMs 442740 Specdb::MsMs 442741 Specdb::MsMs 442742 Specdb::MsMs 2238494 Specdb::MsMs 2239070 Specdb::MsMs 2240558 Specdb::MsMs 2243771 Specdb::MsMs 2244239 HMDB33135 #<Reference:0x000055ce3238f5d0>