6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine

C120H132Cl3N34O3P — CID 158395646

About 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine

6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine (PubChem CID 158395646) has the molecular formula C120H132Cl3N34O3P and a molecular weight of 2235.94 g/mol. Its IUPAC name is 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine
• PubChem CID: 158395646
• Molecular Formula: C120H132Cl3N34O3P
• Molecular Weight: 2235.94 g/mol
• Exact Mass: 2233.00
• IUPAC Name: 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine
• SMILES: C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NC(C)c3ccncc3)n2)=NC1.C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NCC(O)CN3CCOCC3)n2)=NC1.C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)=NC1.CC1=CC(Nc2nc(/C=C/c3ccccc3)nc(N3CCN(C)CC3)n2)=NC1.CN1CCN(c2nc(/C=C/c3ccccc3)nc(NC3=NCC(C4CC4)=C3)n2)CC1
• InChI: InChI=1S/C26H26ClN6OP.C25H30ClN7O2.C25H24ClN7.C23H27N7.C21H25N7/c1-4-6-19-16-24(28-17-19)32-26-31-23(14-9-18-7-5-8-20(27)15-18)30-25(33-26)29-21-10-12-22(13-11-21)35(2,3)34;1-2-4-19-14-23(27-15-19)31-25-30-22(8-7-18-5-3-6-20(26)13-18)29-24(32-25)28-16-21(34)17-33-9-11-35-12-10-33;1-3-5-19-15-23(28-16-19)32-25-31-22(9-8-18-6-4-7-21(26)14-18)30-24(33-25)29-17(2)20-10-12-27-13-11-20;1-29-11-13-30(14-12-29)23-27-20(10-7-17-5-3-2-4-6-17)25-22(28-23)26-21-15-19(16-24-21)18-8-9-18;1-16-14-19(22-15-16)24-20-23-18(9-8-17-6-4-3-5-7-17)25-21(26-20)28-12-10-27(2)11-13-28/h4-16H,17H2,1-3H3,(H2,28,29,30,31,32,33);2-8,13-14,21,34H,9-12,15-17H2,1H3,(H2,27,28,29,30,31,32);3-15,17H,16H2,1-2H3,(H2,28,29,30,31,32,33);2-7,10,15,18H,8-9,11-14,16H2,1H3,(H,24,25,26,27,28);3-9,14H,10-13,15H2,1-2H3,(H,22,23,24,25,26)/b6-4+,14-9+;4-2+,8-7+;5-3+,9-8+;10-7+;9-8+
• InChIKey: GXMYQLFYYFXBCJ-VUCFNOEYSA-N
• XLogP: 20.25
• TPSA: 427.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.94
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine?

The IUPAC name of 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine (CID 158395646) is 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine is C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NC(C)c3ccncc3)n2)=NC1.C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NCC(O)CN3CCOCC3)n2)=NC1.C/C=C/C1=CC(Nc2nc(/C=C/c3cccc(Cl)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)=NC1.CC1=CC(Nc2nc(/C=C/c3ccccc3)nc(N3CCN(C)CC3)n2)=NC1.CN1CCN(c2nc(/C=C/c3ccccc3)nc(NC3=NCC(C4CC4)=C3)n2)CC1.

What is the InChIKey of 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine?

The InChIKey is GXMYQLFYYFXBCJ-VUCFNOEYSA-N. The full InChI is InChI=1S/C26H26ClN6OP.C25H30ClN7O2.C25H24ClN7.C23H27N7.C21H25N7/c1-4-6-19-16-24(28-17-19)32-26-31-23(14-9-18-7-5-8-20(27)15-18)30-25(33-26)29-21-10-12-22(13-11-21)35(2,3)34;1-2-4-19-14-23(27-15-19)31-25-30-22(8-7-18-5-3-6-20(26)13-18)29-24(32-25)28-16-21(34)17-33-9-11-35-12-10-33;1-3-5-19-15-23(28-16-19)32-25-31-22(9-8-18-6-4-7-21(26)14-18)30-24(33-25)29-17(2)20-10-12-27-13-11-20;1-29-11-13-30(14-12-29)23-27-20(10-7-17-5-3-2-4-6-17)25-22(28-23)26-21-15-19(16-24-21)18-8-9-18;1-16-14-19(22-15-16)24-20-23-18(9-8-17-6-4-3-5-7-17)25-21(26-20)28-12-10-27(2)11-13-28/h4-16H,17H2,1-3H3,(H2,28,29,30,31,32,33);2-8,13-14,21,34H,9-12,15-17H2,1H3,(H2,27,28,29,30,31,32);3-15,17H,16H2,1-2H3,(H2,28,29,30,31,32,33);2-7,10,15,18H,8-9,11-14,16H2,1H3,(H,24,25,26,27,28);3-9,14H,10-13,15H2,1-2H3,(H,22,23,24,25,26)/b6-4+,14-9+;4-2+,8-7+;5-3+,9-8+;10-7+;9-8+.

What are the key properties of 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine?

6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine has a molecular weight of 2235.94 g/mol, XLogP of 20.25, 32 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-(4-dimethylphosphorylphenyl)-2-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-1,3,5-triazine-2,4-diamine;1-[[4-[(E)-2-(3-chlorophenyl)ethenyl]-6-[[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-3-morpholin-4-ylpropan-2-ol;6-[(E)-2-(3-chlorophenyl)ethenyl]-4-N-[3-[(E)-prop-1-enyl]-2H-pyrrol-5-yl]-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine;N-(3-cyclopropyl-2H-pyrrol-5-yl)-4-(4-methylpiperazin-1-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine;4-(4-methylpiperazin-1-yl)-N-(3-methyl-2H-pyrrol-5-yl)-6-[(E)-2-phenylethenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 158395646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).