About 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine
2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159646590) has the molecular formula C211H203N65O17S
and a molecular weight of 3953.45 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine.
Frequently Asked Questions
What is the IUPAC name of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 159646590) is 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine is CCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)ccn1.COc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)ncn1.COc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COc1nc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(SC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)c4)c3)n2)c1.
What is the InChIKey of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is MRAORWWXKCXCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS.C22H23N7O3.C22H19N7O2.C21H21N7O2.C21H21N7O.C21H19N5O2.C21H19N5O.C20H19N7O2.C20H19N7O.C20H18N6O2/c1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;1-13-5-3-7-15(11-13)24-21-25-18(28-29-21)14-6-4-8-16(12-14)31-20-17-9-10-23-19(17)26-22(27-20)30-2;1-3-29-21-24-17(22)12-18(25-21)30-16-9-5-7-14(11-16)19-26-20(28-27-19)23-15-8-4-6-13(2)10-15;1-3-15-12-18(25-20(22)23-15)29-17-9-5-7-14(11-17)19-26-21(28-27-19)24-16-8-4-6-13(2)10-16;1-14-5-3-7-16(11-14)23-21-24-20(25-26-21)15-6-4-8-17(12-15)28-18-9-10-22-19(13-18)27-2;1-14-5-3-7-17(11-14)23-21-24-20(25-26-21)16-6-4-8-18(13-16)27-19-9-10-22-15(2)12-19;1-12-5-3-7-14(9-12)22-19-25-18(26-27-19)13-6-4-8-15(10-13)29-17-11-16(21)23-20(24-17)28-2;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;1-13-5-3-7-15(9-13)23-20-24-19(25-26-20)14-6-4-8-16(10-14)28-18-11-17(27-2)21-12-22-18/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,23,25)(H2,24,26,27,28);3-13H,1-2H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);3-12H,1-2H3,(H2,23,24,25,26).
What are the key properties of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine?
2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3953.45 g/mol, XLogP of 43.77, 62 rotatable bonds, 27 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6-methoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159646590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).