2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

C148H137F6N45O10 — CID 158648946

About 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 158648946) has the molecular formula C148H137F6N45O10 and a molecular weight of 2820.02 g/mol. Its IUPAC name is 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 158648946
• Molecular Formula: C148H137F6N45O10
• Molecular Weight: 2820.02 g/mol
• Exact Mass: 2818.15
• IUPAC Name: 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(F)(F)F)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N5CCCC5)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(F)(F)F)n4)c3)n2)c1
• InChI: InChI=1S/C23H23N7O.C23H24N6O2.C21H21N7O.C21H20N6O.C20H16F3N7O2.C20H15F3N6O2.C20H18N6O/c1-16-6-4-8-18(14-16)25-22-27-21(28-29-22)17-7-5-9-19(15-17)31-20-10-11-24-23(26-20)30-12-2-3-13-30;1-15-7-5-9-17(13-15)25-21-27-20(28-29-21)16-8-6-10-18(14-16)30-19-11-12-24-22(26-19)31-23(2,3)4;1-3-18-24-17(22)12-19(25-18)29-16-9-5-7-14(11-16)20-26-21(28-27-20)23-15-8-4-6-13(2)10-15;1-3-18-22-11-10-19(24-18)28-17-9-5-7-15(13-17)20-25-21(27-26-20)23-16-8-4-6-14(2)12-16;1-11-4-2-6-13(8-11)25-18-28-17(29-30-18)12-5-3-7-14(9-12)31-16-10-15(24)26-19(27-16)32-20(21,22)23;1-12-4-2-6-14(10-12)25-18-27-17(28-29-18)13-5-3-7-15(11-13)30-16-8-9-24-19(26-16)31-20(21,22)23;1-13-5-3-7-16(11-13)23-20-24-19(25-26-20)15-6-4-8-17(12-15)27-18-9-10-21-14(2)22-18/h4-11,14-15H,2-3,12-13H2,1H3,(H2,25,27,28,29);5-14H,1-4H3,(H2,25,27,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30);2-11H,1H3,(H2,25,27,28,29);3-12H,1-2H3,(H2,23,24,25,26)
• InChIKey: IBHRZRXKKQHUSN-UHFFFAOYSA-N
• XLogP: 32.91
• TPSA: 703.24 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2820.02
LogP ≤ 5	32.91
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 158648946) is 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(F)(F)F)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N5CCCC5)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(F)(F)F)n4)c3)n2)c1.

What is the InChIKey of 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is IBHRZRXKKQHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O.C23H24N6O2.C21H21N7O.C21H20N6O.C20H16F3N7O2.C20H15F3N6O2.C20H18N6O/c1-16-6-4-8-18(14-16)25-22-27-21(28-29-22)17-7-5-9-19(15-17)31-20-10-11-24-23(26-20)30-12-2-3-13-30;1-15-7-5-9-17(13-15)25-21-27-20(28-29-21)16-8-6-10-18(14-16)30-19-11-12-24-22(26-19)31-23(2,3)4;1-3-18-24-17(22)12-19(25-18)29-16-9-5-7-14(11-16)20-26-21(28-27-20)23-15-8-4-6-13(2)10-15;1-3-18-22-11-10-19(24-18)28-17-9-5-7-15(13-17)20-25-21(27-26-20)23-16-8-4-6-14(2)12-16;1-11-4-2-6-13(8-11)25-18-28-17(29-30-18)12-5-3-7-14(9-12)31-16-10-15(24)26-19(27-16)32-20(21,22)23;1-12-4-2-6-14(10-12)25-18-27-17(28-29-18)13-5-3-7-15(11-13)30-16-8-9-24-19(26-16)31-20(21,22)23;1-13-5-3-7-16(11-13)23-20-24-19(25-26-20)15-6-4-8-17(12-15)27-18-9-10-21-14(2)22-18/h4-11,14-15H,2-3,12-13H2,1H3,(H2,25,27,28,29);5-14H,1-4H3,(H2,25,27,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30);2-11H,1H3,(H2,25,27,28,29);3-12H,1-2H3,(H2,23,24,25,26).

What are the key properties of 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2820.02 g/mol, XLogP of 32.91, 41 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-(trifluoromethoxy)pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-methylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[3-[2-(trifluoromethoxy)pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 158648946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).