1.0 2026-09-21 23:04:42 UTC 2026-09-21 23:04:42 UTC FDB117240 trimethoprim 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine C14H18N4O3 290.3177 290.137890462 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine trimethoprim COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic heteromonocyclic compounds Alkyl aryl ethers Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Methoxybenzenes Organopnictogen compounds Phenoxy compounds Primary amines Alkyl aryl ether Amine Aminopyrimidine Anisole Aromatic heteromonocyclic compound Azacycle Ether Heteroaromatic compound Hydrocarbon derivative Imidolactam Methoxybenzene Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Primary amine Pyrimidine a small molecule aminopyrimidine methoxybenzene logp 1.26 ALOGPS logs -2.67 ALOGPS solubility 6.15e-01 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_acidic 17.33 ChemAxon pka_strongest_basic 7.16 ChemAxon iupac 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine ChemAxon average_mass 290.3177 ChemAxon mono_mass 290.137890462 ChemAxon smiles COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC ChemAxon formula C14H18N4O3 ChemAxon inchi InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) ChemAxon inchikey IEDVJHCEMCRBQM-UHFFFAOYSA-N ChemAxon polar_surface_area 105.51 ChemAxon refractivity 81.51 ChemAxon polarizability 29.71 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16814 Specdb::CMs 29724 Specdb::CMs 100131 Specdb::CMs 154508 Specdb::MsMs 47508 Specdb::MsMs 47509 Specdb::MsMs 47510 Specdb::MsMs 155664 Specdb::MsMs 155665 Specdb::MsMs 155666 Specdb::MsMs 374762 Specdb::MsMs 441741 Specdb::MsMs 441742 Specdb::MsMs 441743 Specdb::MsMs 441744 Specdb::MsMs 441745 Specdb::MsMs 441746 Specdb::MsMs 441747 Specdb::MsMs 441748 Specdb::MsMs 441749 Specdb::MsMs 441750 Specdb::MsMs 441751 Specdb::MsMs 441752 Specdb::MsMs 441753 Specdb::MsMs 441754 Specdb::MsMs 447090 Specdb::MsMs 447091 Specdb::MsMs 447092 Specdb::MsMs 447093