2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine

C141H165Cl4F11N38O7 — CID 162261786

About 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine

2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine (PubChem CID 162261786) has the molecular formula C141H165Cl4F11N38O7 and a molecular weight of 2854.92 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine
• PubChem CID: 162261786
• Molecular Formula: C141H165Cl4F11N38O7
• Molecular Weight: 2854.92 g/mol
• Exact Mass: 2851.23
• IUPAC Name: 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine
• SMILES: CN1CCN(Cc2ccc(Nc3cc(Cl)c(O)c(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccnc(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccnc(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1Nc1cc(Cl)c(O)c(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1Nc1ccnc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)c1
• InChI: InChI=1S/C29H34Cl2FN7O2.C29H32ClF4N7O2.C28H34ClFN8O.C28H32F4N8O.C27H33FN8O/c1-19-11-20(18-38-5-3-37(2)4-6-38)12-23(30)27(19)35-22-13-21(28(40)24(31)14-22)15-33-17-26-34-16-25(32)29(36-26)39-7-9-41-10-8-39;1-39-4-6-40(7-5-39)18-19-2-3-21(13-23(19)29(32,33)34)37-22-12-20(27(42)24(30)14-22)15-35-17-26-36-16-25(31)28(38-26)41-8-10-43-11-9-41;1-20-13-21(19-37-7-5-36(2)6-8-37)14-24(29)27(20)34-22-3-4-32-23(15-22)16-31-18-26-33-17-25(30)28(35-26)38-9-11-39-12-10-38;1-38-6-8-39(9-7-38)19-20-2-3-21(15-24(20)28(30,31)32)36-22-4-5-34-23(14-22)16-33-18-26-35-17-25(29)27(37-26)40-10-12-41-13-11-40;1-34-8-10-35(11-9-34)20-21-2-4-22(5-3-21)32-23-6-7-30-24(16-23)17-29-19-26-31-18-25(28)27(33-26)36-12-14-37-15-13-36/h11-16,35,40H,3-10,17-18H2,1-2H3;2-3,12-16,37,42H,4-11,17-18H2,1H3;3-4,13-17H,5-12,18-19H2,1-2H3,(H,32,34);2-5,14-17H,6-13,18-19H2,1H3,(H,34,36);2-7,16-18H,8-15,19-20H2,1H3,(H,30,32)/b33-15+;35-15+;31-16+;33-16+;29-17+
• InChIKey: ZZISDTKALMVIDZ-PWIBXDEESA-N
• XLogP: 20.68
• TPSA: 424.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 40
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2854.92
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine?

The IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine (CID 162261786) is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine.

What is the SMILES notation for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine?

The canonical SMILES for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine is CN1CCN(Cc2ccc(Nc3cc(Cl)c(O)c(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(Nc3ccnc(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(Nc3ccnc(/C=N/Cc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1Nc1cc(Cl)c(O)c(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1Nc1ccnc(/C=N/Cc2ncc(F)c(N3CCOCC3)n2)c1.

What is the InChIKey of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine?

The InChIKey is ZZISDTKALMVIDZ-PWIBXDEESA-N. The full InChI is InChI=1S/C29H34Cl2FN7O2.C29H32ClF4N7O2.C28H34ClFN8O.C28H32F4N8O.C27H33FN8O/c1-19-11-20(18-38-5-3-37(2)4-6-38)12-23(30)27(19)35-22-13-21(28(40)24(31)14-22)15-33-17-26-34-16-25(32)29(36-26)39-7-9-41-10-8-39;1-39-4-6-40(7-5-39)18-19-2-3-21(13-23(19)29(32,33)34)37-22-12-20(27(42)24(30)14-22)15-35-17-26-36-16-25(31)28(38-26)41-8-10-43-11-9-41;1-20-13-21(19-37-7-5-36(2)6-8-37)14-24(29)27(20)34-22-3-4-32-23(15-22)16-31-18-26-33-17-25(30)28(35-26)38-9-11-39-12-10-38;1-38-6-8-39(9-7-38)19-20-2-3-21(15-24(20)28(30,31)32)36-22-4-5-34-23(14-22)16-33-18-26-35-17-25(29)27(37-26)40-10-12-41-13-11-40;1-34-8-10-35(11-9-34)20-21-2-4-22(5-3-21)32-23-6-7-30-24(16-23)17-29-19-26-31-18-25(28)27(33-26)36-12-14-37-15-13-36/h11-16,35,40H,3-10,17-18H2,1-2H3;2-3,12-16,37,42H,4-11,17-18H2,1H3;3-4,13-17H,5-12,18-19H2,1-2H3,(H,32,34);2-5,14-17H,6-13,18-19H2,1H3,(H,34,36);2-7,16-18H,8-15,19-20H2,1H3,(H,30,32)/b33-15+;35-15+;31-16+;33-16+;29-17+.

What are the key properties of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine?

2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine has a molecular weight of 2854.92 g/mol, XLogP of 20.68, 40 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]anilino]-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]phenol;2-chloro-6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]phenol;N-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-4-amine;2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 162261786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).