2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine

C144H230N40O10 — CID 159451395

About 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine

2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 159451395) has the molecular formula C144H230N40O10 and a molecular weight of 2681.69 g/mol. Its IUPAC name is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
• PubChem CID: 159451395
• Molecular Formula: C144H230N40O10
• Molecular Weight: 2681.69 g/mol
• Exact Mass: 2679.87
• IUPAC Name: 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine
• SMILES: CCOCCNc1cc(N2CCN(CCOCC)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCCC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1
• InChI: InChI=1S/C33H56N8O2.C29H46N8O2.C28H44N8O2.2C27H42N8O2/c1-3-42-23-17-36-31-25-32(41-20-18-40(19-21-41)22-24-43-4-2)39-33(38-31)37-27-29-13-11-28(12-14-29)26-34-15-8-16-35-30-9-6-5-7-10-30;30-26-20-27(37-18-16-36(17-19-37)15-4-8-28(38)39)35-29(34-26)33-22-24-11-9-23(10-12-24)21-31-13-5-14-32-25-6-2-1-3-7-25;29-25-19-26(36-17-15-35(16-18-36)14-11-27(37)38)34-28(33-25)32-21-23-9-7-22(8-10-23)20-30-12-4-13-31-24-5-2-1-3-6-24;28-24-17-25(34-13-15-35(16-14-34)26(37)20-36)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23;28-24-17-25(35-15-13-34(14-16-35)20-26(36)37)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23/h11-14,25,30,34-35H,3-10,15-24,26-27H2,1-2H3,(H2,36,37,38,39);9-12,20,25,31-32H,1-8,13-19,21-22H2,(H,38,39)(H3,30,33,34,35);7-10,19,24,30-31H,1-6,11-18,20-21H2,(H,37,38)(H3,29,32,33,34);7-10,17,23,29-30,36H,1-6,11-16,18-20H2,(H3,28,31,32,33);7-10,17,23,29-30H,1-6,11-16,18-20H2,(H,36,37)(H3,28,31,32,33)
• InChIKey: LTKQPWBSKQAWOK-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 625.52 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 46
• Rotatable Bonds: 74
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2681.69
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The IUPAC name of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 159451395) is 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The canonical SMILES for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine is CCOCCNc1cc(N2CCN(CCOCC)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(C(=O)CO)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.Nc1cc(N2CCN(CCCC(=O)O)CC2)nc(NCc2ccc(CNCCCNC3CCCCC3)cc2)n1.

What is the InChIKey of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

The InChIKey is LTKQPWBSKQAWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N8O2.C29H46N8O2.C28H44N8O2.2C27H42N8O2/c1-3-42-23-17-36-31-25-32(41-20-18-40(19-21-41)22-24-43-4-2)39-33(38-31)37-27-29-13-11-28(12-14-29)26-34-15-8-16-35-30-9-6-5-7-10-30;30-26-20-27(37-18-16-36(17-19-37)15-4-8-28(38)39)35-29(34-26)33-22-24-11-9-23(10-12-24)21-31-13-5-14-32-25-6-2-1-3-7-25;29-25-19-26(36-17-15-35(16-18-36)14-11-27(37)38)34-28(33-25)32-21-23-9-7-22(8-10-23)20-30-12-4-13-31-24-5-2-1-3-6-24;28-24-17-25(34-13-15-35(16-14-34)26(37)20-36)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23;28-24-17-25(35-15-13-34(14-16-35)20-26(36)37)33-27(32-24)31-19-22-9-7-21(8-10-22)18-29-11-4-12-30-23-5-2-1-3-6-23/h11-14,25,30,34-35H,3-10,15-24,26-27H2,1-2H3,(H2,36,37,38,39);9-12,20,25,31-32H,1-8,13-19,21-22H2,(H,38,39)(H3,30,33,34,35);7-10,19,24,30-31H,1-6,11-18,20-21H2,(H,37,38)(H3,29,32,33,34);7-10,17,23,29-30,36H,1-6,11-16,18-20H2,(H3,28,31,32,33);7-10,17,23,29-30H,1-6,11-16,18-20H2,(H,36,37)(H3,28,31,32,33).

What are the key properties of 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine?

2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 2681.69 g/mol, XLogP of 13.82, 74 rotatable bonds, 24 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]acetic acid;4-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid;1-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]-2-hydroxyethanone;3-[4-[6-amino-2-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methylamino]pyrimidin-4-yl]piperazin-1-yl]propanoic acid;2-N-[[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]methyl]-4-N-(2-ethoxyethyl)-6-[4-(2-ethoxyethyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159451395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).