4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C104H111F11N36O2S3 — CID 160804974

About 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 160804974) has the molecular formula C104H111F11N36O2S3 and a molecular weight of 2202.46 g/mol. Its IUPAC name is 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 160804974
• Molecular Formula: C104H111F11N36O2S3
• Molecular Weight: 2202.46 g/mol
• Exact Mass: 2200.87
• IUPAC Name: 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
• SMILES: CC1=CC(Nc2nc(/C=C/c3ccc(F)c(F)c3)nc(N3CCN(C)CC3)n2)=NC1.CC1=CC(Nc2nc(/C=C/c3cccc(N)c3)nc(N3CCN(C)CC3)n2)=NC1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCNC(=O)C3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCNCC3)n2)s1
• InChI: InChI=1S/C22H24F3N7OS.C21H23F2N7.C21H26N8.C20H18F3N7OS.C20H20F3N7S/c1-15-14-26-21(34-15)30-19-27-18(6-5-16-3-2-4-17(13-16)22(23,24)25)28-20(29-19)32-9-7-31(8-10-32)11-12-33;1-14-11-19(24-13-14)26-20-25-18(6-4-15-3-5-16(22)17(23)12-15)27-21(28-20)30-9-7-29(2)8-10-30;1-15-12-19(23-14-15)25-20-24-18(7-6-16-4-3-5-17(22)13-16)26-21(27-20)29-10-8-28(2)9-11-29;1-12-10-25-19(32-12)29-17-26-15(27-18(28-17)30-8-7-24-16(31)11-30)6-5-13-3-2-4-14(9-13)20(21,22)23;1-13-12-25-19(31-13)29-17-26-16(27-18(28-17)30-9-7-24-8-10-30)6-5-14-3-2-4-15(11-14)20(21,22)23/h2-6,13-14,33H,7-12H2,1H3,(H,26,27,28,29,30);3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26,27,28);3-7,12-13H,8-11,14,22H2,1-2H3,(H,23,24,25,26,27);2-6,9-10H,7-8,11H2,1H3,(H,24,31)(H,25,26,27,28,29);2-6,11-12,24H,7-10H2,1H3,(H,25,26,27,28,29)/b6-5+;6-4+;7-6+;2*6-5+
• InChIKey: SDOLCDNEBNDBSU-ABPOINAXSA-N
• XLogP: 16.16
• TPSA: 430.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.46
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The IUPAC name of 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 160804974) is 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is CC1=CC(Nc2nc(/C=C/c3ccc(F)c(F)c3)nc(N3CCN(C)CC3)n2)=NC1.CC1=CC(Nc2nc(/C=C/c3cccc(N)c3)nc(N3CCN(C)CC3)n2)=NC1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCN(CCO)CC3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCNC(=O)C3)n2)s1.Cc1cnc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N3CCNCC3)n2)s1.

What is the InChIKey of 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is SDOLCDNEBNDBSU-ABPOINAXSA-N. The full InChI is InChI=1S/C22H24F3N7OS.C21H23F2N7.C21H26N8.C20H18F3N7OS.C20H20F3N7S/c1-15-14-26-21(34-15)30-19-27-18(6-5-16-3-2-4-17(13-16)22(23,24)25)28-20(29-19)32-9-7-31(8-10-32)11-12-33;1-14-11-19(24-13-14)26-20-25-18(6-4-15-3-5-16(22)17(23)12-15)27-21(28-20)30-9-7-29(2)8-10-30;1-15-12-19(23-14-15)25-20-24-18(7-6-16-4-3-5-17(22)13-16)26-21(27-20)29-10-8-28(2)9-11-29;1-12-10-25-19(32-12)29-17-26-15(27-18(28-17)30-8-7-24-16(31)11-30)6-5-13-3-2-4-14(9-13)20(21,22)23;1-13-12-25-19(31-13)29-17-26-16(27-18(28-17)30-9-7-24-8-10-30)6-5-14-3-2-4-15(11-14)20(21,22)23/h2-6,13-14,33H,7-12H2,1H3,(H,26,27,28,29,30);3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,26,27,28);3-7,12-13H,8-11,14,22H2,1-2H3,(H,23,24,25,26,27);2-6,9-10H,7-8,11H2,1H3,(H,24,31)(H,25,26,27,28,29);2-6,11-12,24H,7-10H2,1H3,(H,25,26,27,28,29)/b6-5+;6-4+;7-6+;2*6-5+.

What are the key properties of 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?

4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 2202.46 g/mol, XLogP of 16.16, 25 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-(3-aminophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;4-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;5-methyl-N-[4-piperazin-1-yl-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-2-one;2-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 160804974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).