1.0 2026-09-22 09:07:06 UTC 2026-09-22 09:07:06 UTC FDB118015 PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE) 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide N4,N6-bis(m-tolylmethyl)pyrimidine-4,6-dicarboxamide C22H22N4O2 374.4357 374.174275968 N4,N6-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide N4,N6-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1 InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28) GTBUZLPQANSGGE-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. Pyrimidinecarboxylic acids and derivatives are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof). Pyrimidinecarboxylic acids and derivatives Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteromonocyclic compounds 2-heteroaryl carboxamides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Secondary carboxylic acid amides Toluenes 2-heteroaryl carboxamide Aromatic heteromonocyclic compound Azacycle Benzenoid Carboxamide group Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidine-6-carboxylic acid or derivatives Secondary carboxylic acid amide Toluene pyrimidinecarboxamide logp 1.97 ALOGPS logs -4.70 ALOGPS solubility 7.51e-03 g/l ALOGPS logp 3.45 ChemAxon pka_strongest_acidic 13.34 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac N4,N6-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide ChemAxon average_mass 374.4357 ChemAxon mono_mass 374.174275968 ChemAxon smiles CC1=CC(CNC(=O)C2=CC(=NC=N2)C(=O)NCC2=CC=CC(C)=C2)=CC=C1 ChemAxon formula C22H22N4O2 ChemAxon inchi InChI=1S/C22H22N4O2/c1-15-5-3-7-17(9-15)12-23-21(27)19-11-20(26-14-25-19)22(28)24-13-18-8-4-6-16(2)10-18/h3-11,14H,12-13H2,1-2H3,(H,23,27)(H,24,28) ChemAxon inchikey GTBUZLPQANSGGE-UHFFFAOYSA-N ChemAxon polar_surface_area 83.98 ChemAxon refractivity 109.24 ChemAxon polarizability 41.81 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 249459 Specdb::MsMs 249460 Specdb::MsMs 249461 Specdb::MsMs 269400 Specdb::MsMs 269401 Specdb::MsMs 269402