2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

C129H129N39O12 — CID 157158241

About 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine

2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 157158241) has the molecular formula C129H129N39O12 and a molecular weight of 2417.71 g/mol. Its IUPAC name is 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 157158241
• Molecular Formula: C129H129N39O12
• Molecular Weight: 2417.71 g/mol
• Exact Mass: 2416.07
• IUPAC Name: 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: CCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COCCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1
• InChI: InChI=1S/C23H25N7O2.C23H24N6O2.C22H22N6O3.C21H21N7O2.C21H20N6O2.C19H17N7O/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;1-15-7-5-9-17(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;1-15-5-3-7-17(13-15)24-21-26-20(27-28-21)16-6-4-8-18(14-16)31-19-9-10-23-22(25-19)30-12-11-29-2;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;1-3-28-21-22-11-10-18(24-21)29-17-9-5-7-15(13-17)19-25-20(27-26-19)23-16-8-4-6-14(2)12-16;1-12-4-2-6-14(10-12)22-19-24-17(25-26-19)13-5-3-7-15(11-13)27-16-8-9-21-18(20)23-16/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-14H,1-4H3,(H2,25,27,28,29);3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26)
• InChIKey: AMBHIQFLYOMGRQ-UHFFFAOYSA-N
• XLogP: 26.56
• TPSA: 665.10 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 45
• Rotatable Bonds: 40
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2417.71
LogP ≤ 5	26.56
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 157158241) is 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is CCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COCCOc1nccc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(OC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc(OC(C)(C)C)n4)c3)n2)c1.

What is the InChIKey of 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is AMBHIQFLYOMGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2.C23H24N6O2.C22H22N6O3.C21H21N7O2.C21H20N6O2.C19H17N7O/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;1-15-7-5-9-17(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;1-15-5-3-7-17(13-15)24-21-26-20(27-28-21)16-6-4-8-18(14-16)31-19-9-10-23-22(25-19)30-12-11-29-2;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;1-3-28-21-22-11-10-18(24-21)29-17-9-5-7-15(13-17)19-25-20(27-26-19)23-16-8-4-6-14(2)12-16;1-12-4-2-6-14(10-12)22-19-24-17(25-26-19)13-5-3-7-15(11-13)27-16-8-9-21-18(20)23-16/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-14H,1-4H3,(H2,25,27,28,29);3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-13H,3H2,1-2H3,(H2,23,25,26,27);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26).

What are the key properties of 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine?

2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 2417.71 g/mol, XLogP of 26.56, 40 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;5-[3-(2-ethoxypyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-[2-(2-methoxyethoxy)pyrimidin-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-[(2-methylpropan-2-yl)oxy]pyrimidin-4-amine;4-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-[3-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-4-yl]oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 157158241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).