N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol

C156H254N38O13 — CID 159116518

About N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol

N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol (PubChem CID 159116518) has the molecular formula C156H254N38O13 and a molecular weight of 2870.00 g/mol. Its IUPAC name is N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol
• PubChem CID: 159116518
• Molecular Formula: C156H254N38O13
• Molecular Weight: 2870.00 g/mol
• Exact Mass: 2868.04
• IUPAC Name: N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol
• SMILES: CCOCCN1CCN(c2cc(NC(=O)CO)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COC)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COCCOC)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(CCCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(CCOCCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C34H56N8O4.C32H52N8O3.C31H50N8O3.C30H49N7O2.C29H47N7O/c1-3-45-21-20-41-16-18-42(19-17-41)32-24-31(38-33(43)27-46-23-22-44-2)39-34(40-32)37-26-29-12-10-28(11-13-29)25-35-14-7-15-36-30-8-5-4-6-9-30;1-3-43-21-20-39-16-18-40(19-17-39)30-22-29(36-31(41)25-42-2)37-32(38-30)35-24-27-12-10-26(11-13-27)23-33-14-7-15-34-28-8-5-4-6-9-28;1-2-42-20-19-38-15-17-39(18-16-38)29-21-28(35-30(41)24-40)36-31(37-29)34-23-26-11-9-25(10-12-26)22-32-13-6-14-33-27-7-4-3-5-8-27;1-25-22-29(37-16-14-36(15-17-37)18-20-39-21-19-38)35-30(34-25)33-24-27-10-8-26(9-11-27)23-31-12-5-13-32-28-6-3-2-4-7-28;1-24-21-28(36-18-16-35(17-19-36)15-6-20-37)34-29(33-24)32-23-26-11-9-25(10-12-26)22-30-13-5-14-31-27-7-3-2-4-8-27/h10-13,24,30,35-36H,3-9,14-23,25-27H2,1-2H3,(H2,37,38,39,40,43);10-13,22,28,33-34H,3-9,14-21,23-25H2,1-2H3,(H2,35,36,37,38,41);9-12,21,27,32-33,40H,2-8,13-20,22-24H2,1H3,(H2,34,35,36,37,41);8-11,22,28,31-32,38H,2-7,12-21,23-24H2,1H3,(H,33,34,35);9-12,21,27,30-31,37H,2-8,13-20,22-23H2,1H3,(H,32,33,34)
• InChIKey: KFDVJYHGVULEEG-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 554.35 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 48
• Rotatable Bonds: 86
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2870.00
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol?

The IUPAC name of N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol (CID 159116518) is N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol.

What is the SMILES notation for N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol?

The canonical SMILES for N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol is CCOCCN1CCN(c2cc(NC(=O)CO)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COC)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.CCOCCN1CCN(c2cc(NC(=O)COCCOC)nc(NCc3ccc(CNCCCNC4CCCCC4)cc3)n2)CC1.Cc1cc(N2CCN(CCCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Cc1cc(N2CCN(CCOCCO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol?

The InChIKey is KFDVJYHGVULEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H56N8O4.C32H52N8O3.C31H50N8O3.C30H49N7O2.C29H47N7O/c1-3-45-21-20-41-16-18-42(19-17-41)32-24-31(38-33(43)27-46-23-22-44-2)39-34(40-32)37-26-29-12-10-28(11-13-29)25-35-14-7-15-36-30-8-5-4-6-9-30;1-3-43-21-20-39-16-18-40(19-17-39)30-22-29(36-31(41)25-42-2)37-32(38-30)35-24-27-12-10-26(11-13-27)23-33-14-7-15-34-28-8-5-4-6-9-28;1-2-42-20-19-38-15-17-39(18-16-38)29-21-28(35-30(41)24-40)36-31(37-29)34-23-26-11-9-25(10-12-26)22-32-13-6-14-33-27-7-4-3-5-8-27;1-25-22-29(37-16-14-36(15-17-37)18-20-39-21-19-38)35-30(34-25)33-24-27-10-8-26(9-11-27)23-31-12-5-13-32-28-6-3-2-4-7-28;1-24-21-28(36-18-16-35(17-19-36)15-6-20-37)34-29(33-24)32-23-26-11-9-25(10-12-26)22-30-13-5-14-31-27-7-3-2-4-8-27/h10-13,24,30,35-36H,3-9,14-23,25-27H2,1-2H3,(H2,37,38,39,40,43);10-13,22,28,33-34H,3-9,14-21,23-25H2,1-2H3,(H2,35,36,37,38,41);9-12,21,27,32-33,40H,2-8,13-20,22-24H2,1H3,(H2,34,35,36,37,41);8-11,22,28,31-32,38H,2-7,12-21,23-24H2,1H3,(H,33,34,35);9-12,21,27,30-31,37H,2-8,13-20,22-23H2,1H3,(H,32,33,34).

What are the key properties of N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol?

N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol has a molecular weight of 2870.00 g/mol, XLogP of 15.30, 86 rotatable bonds, 21 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-hydroxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-methoxyacetamide;N-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-2-(2-methoxyethoxy)acetamide;2-[2-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]ethoxy]ethanol;3-[4-[2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]-6-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 159116518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).