3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide

C134H156N26O10S — CID 160842691

About 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide

3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide (PubChem CID 160842691) has the molecular formula C134H156N26O10S and a molecular weight of 2322.96 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

• Compound Name: 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide
• PubChem CID: 160842691
• Molecular Formula: C134H156N26O10S
• Molecular Weight: 2322.96 g/mol
• Exact Mass: 2321.22
• IUPAC Name: 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide
• SMILES: CCc1nc(Oc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C)c3)ccc2C)c2c(ccn2C)n1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccc(-c5ccsc5)cc4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(N4CCOCC4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1
• InChI: InChI=1S/C38H38N6O2S.C34H43N7O3.C32H39N7O3.C30H36N6O2/c1-25-5-6-29(37(45)39-32-12-11-30(26(2)21-32)23-44-18-16-42(3)17-19-44)22-34(25)46-38-35-33(13-15-43(35)4)40-36(41-38)28-9-7-27(8-10-28)31-14-20-47-24-31;1-22-7-8-26(32(42)35-28-10-9-27(23(2)17-28)21-40-15-13-38(5)14-16-40)18-30(22)44-33-31-29(11-12-39(31)6)36-34(37-33)41-19-24(3)43-25(4)20-41;1-22-5-6-24(30(40)33-26-8-7-25(23(2)19-26)21-38-13-11-36(3)12-14-38)20-28(22)42-31-29-27(9-10-37(29)4)34-32(35-31)39-15-17-41-18-16-39;1-6-27-32-25-11-12-35(5)28(25)30(33-27)38-26-18-22(8-7-20(26)2)29(37)31-24-10-9-23(21(3)17-24)19-36-15-13-34(4)14-16-36/h5-15,20-22,24H,16-19,23H2,1-4H3,(H,39,45);7-12,17-18,24-25H,13-16,19-21H2,1-6H3,(H,35,42);5-10,19-20H,11-18,21H2,1-4H3,(H,33,40);7-12,17-18H,6,13-16,19H2,1-5H3,(H,31,37)
• InChIKey: SIFUSOHFWLLKPE-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 327.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.96
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide?

The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide (CID 160842691) is 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide.

What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide?

The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide is CCc1nc(Oc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C)c3)ccc2C)c2c(ccn2C)n1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(-c4ccc(-c5ccsc5)cc4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1.Cc1cc(NC(=O)c2ccc(C)c(Oc3nc(N4CCOCC4)nc4ccn(C)c34)c2)ccc1CN1CCN(C)CC1.

What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide?

The InChIKey is SIFUSOHFWLLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N6O2S.C34H43N7O3.C32H39N7O3.C30H36N6O2/c1-25-5-6-29(37(45)39-32-12-11-30(26(2)21-32)23-44-18-16-42(3)17-19-44)22-34(25)46-38-35-33(13-15-43(35)4)40-36(41-38)28-9-7-27(8-10-28)31-14-20-47-24-31;1-22-7-8-26(32(42)35-28-10-9-27(23(2)17-28)21-40-15-13-38(5)14-16-40)18-30(22)44-33-31-29(11-12-39(31)6)36-34(37-33)41-19-24(3)43-25(4)20-41;1-22-5-6-24(30(40)33-26-8-7-25(23(2)19-26)21-38-13-11-36(3)12-14-38)20-28(22)42-31-29-27(9-10-37(29)4)34-32(35-31)39-15-17-41-18-16-39;1-6-27-32-25-11-12-35(5)28(25)30(33-27)38-26-18-22(8-7-20(26)2)29(37)31-24-10-9-23(21(3)17-24)19-36-15-13-34(4)14-16-36/h5-15,20-22,24H,16-19,23H2,1-4H3,(H,39,45);7-12,17-18,24-25H,13-16,19-21H2,1-6H3,(H,35,42);5-10,19-20H,11-18,21H2,1-4H3,(H,33,40);7-12,17-18H,6,13-16,19H2,1-5H3,(H,31,37).

What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide?

3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide has a molecular weight of 2322.96 g/mol, XLogP of 21.92, 29 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;3-(2-ethyl-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxy-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[5-methyl-2-(4-thiophen-3-ylphenyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 160842691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).