2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide

C143H162F9N37O13 — CID 158774056

About 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide

2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide (PubChem CID 158774056) has the molecular formula C143H162F9N37O13 and a molecular weight of 2778.10 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide
• PubChem CID: 158774056
• Molecular Formula: C143H162F9N37O13
• Molecular Weight: 2778.10 g/mol
• Exact Mass: 2776.30
• IUPAC Name: 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide
• SMILES: Cc1nc(Nc2ccc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc4ccccc34)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3C)c(C)c2)nc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C26H28N6O2.C24H26F3N7O3.C24H30N6O2.2C23H25F3N6O2.C23H28N6O2/c1-19-27-25(30-26(28-19)32-15-13-31(14-16-32)17-18-33)29-21-9-11-22(12-10-21)34-24-8-4-6-20-5-2-3-7-23(20)24;1-16-28-22(32-23(29-16)34-12-10-33(11-13-34)14-15-35)31-18-4-8-20(9-5-18)37-19-6-2-17(3-7-19)30-21(36)24(25,26)27;1-17-6-4-5-7-21(17)32-22-9-8-20(16-18(22)2)27-23-25-19(3)26-24(28-23)30-12-10-29(11-13-30)14-15-31;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-20-8-7-18(15-19(20)23(24,25)26)34-17-5-3-2-4-6-17;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h2-12,33H,13-18H2,1H3,(H,27,28,29,30);2-9,35H,10-15H2,1H3,(H,30,36)(H,28,29,31,32);4-9,16,31H,10-15H2,1-3H3,(H,25,26,27,28);2*2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27)
• InChIKey: IQGCSKRHIQFWOG-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 548.94 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 49
• Rotatable Bonds: 43
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2778.10
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide?

The IUPAC name of 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide (CID 158774056) is 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide.

What is the SMILES notation for 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide?

The canonical SMILES for 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide is Cc1nc(Nc2ccc(Oc3ccc(NC(=O)C(F)(F)F)cc3)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3cccc4ccccc34)cc2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)c(C(F)(F)F)c2)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C(F)(F)F)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3)cc2C)nc(N2CCN(CCO)CC2)n1.Cc1nc(Nc2ccc(Oc3ccccc3C)c(C)c2)nc(N2CCN(CCO)CC2)n1.

What is the InChIKey of 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide?

The InChIKey is IQGCSKRHIQFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C24H26F3N7O3.C24H30N6O2.2C23H25F3N6O2.C23H28N6O2/c1-19-27-25(30-26(28-19)32-15-13-31(14-16-32)17-18-33)29-21-9-11-22(12-10-21)34-24-8-4-6-20-5-2-3-7-23(20)24;1-16-28-22(32-23(29-16)34-12-10-33(11-13-34)14-15-35)31-18-4-8-20(9-5-18)37-19-6-2-17(3-7-19)30-21(36)24(25,26)27;1-17-6-4-5-7-21(17)32-22-9-8-20(16-18(22)2)27-23-25-19(3)26-24(28-23)30-12-10-29(11-13-30)14-15-31;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-17-7-8-20(19(15-17)23(24,25)26)34-18-5-3-2-4-6-18;1-16-27-21(30-22(28-16)32-11-9-31(10-12-32)13-14-33)29-20-8-7-18(15-19(20)23(24,25)26)34-17-5-3-2-4-6-17;1-17-16-20(31-19-6-4-3-5-7-19)8-9-21(17)26-22-24-18(2)25-23(27-22)29-12-10-28(11-13-29)14-15-30/h2-12,33H,13-18H2,1H3,(H,27,28,29,30);2-9,35H,10-15H2,1H3,(H,30,36)(H,28,29,31,32);4-9,16,31H,10-15H2,1-3H3,(H,25,26,27,28);2*2-8,15,33H,9-14H2,1H3,(H,27,28,29,30);3-9,16,30H,10-15H2,1-2H3,(H,24,25,26,27).

What are the key properties of 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide?

2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide has a molecular weight of 2778.10 g/mol, XLogP of 21.60, 43 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-methyl-6-[3-methyl-4-(2-methylphenoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(2-methyl-4-phenoxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-(4-naphthalen-1-yloxyanilino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2-[4-[4-methyl-6-[4-phenoxy-3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;2,2,2-trifluoro-N-[4-[4-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-1,3,5-triazin-2-yl]amino]phenoxy]phenyl]acetamide is sourced from PubChem (CID 158774056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).