9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid

C88H140N25O14P3Si — CID 161312003

About 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid

9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid (PubChem CID 161312003) has the molecular formula C88H140N25O14P3Si and a molecular weight of 1893.26 g/mol. Its IUPAC name is 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid.

Molecular Properties

• Compound Name: 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid
• PubChem CID: 161312003
• Molecular Formula: C88H140N25O14P3Si
• Molecular Weight: 1893.26 g/mol
• Exact Mass: 1892.00
• IUPAC Name: 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid
• SMILES: CCCC(CCO)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(O)O)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(O)OC(C)C)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(OC(C)C)OC(C)C)n1cnc2c(NC)ncnc21.CCCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cnc2c(NC)ncnc21
• InChI: InChI=1S/C28H37N5OSi.C19H34N5O4P.C16H28N5O4P.C13H22N5O4P.C12H19N5O/c1-6-13-22(33-21-32-25-26(29-5)30-20-31-27(25)33)18-19-34-35(28(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-7-8-16(24-12-23-17-18(20-6)21-11-22-19(17)24)9-10-26-13-29(25,27-14(2)3)28-15(4)5;1-5-6-13(7-8-24-11-26(22,23)25-12(2)3)21-10-20-14-15(17-4)18-9-19-16(14)21;1-3-4-10(5-6-22-9-23(19,20)21)18-8-17-11-12(14-2)15-7-16-13(11)18;1-3-4-9(5-6-18)17-8-16-10-11(13-2)14-7-15-12(10)17/h7-12,14-17,20-22H,6,13,18-19H2,1-5H3,(H,29,30,31);11-12,14-16H,7-10,13H2,1-6H3,(H,20,21,22);9-10,12-13H,5-8,11H2,1-4H3,(H,22,23)(H,17,18,19);7-8,10H,3-6,9H2,1-2H3,(H,14,15,16)(H2,19,20,21);7-9,18H,3-6H2,1-2H3,(H,13,14,15)
• InChIKey: VJAAIBFLMCCHAX-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 474.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 49
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.26
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid?

The IUPAC name of 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid (CID 161312003) is 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid.

What is the SMILES notation for 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid?

The canonical SMILES for 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid is CCCC(CCO)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(O)O)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(O)OC(C)C)n1cnc2c(NC)ncnc21.CCCC(CCOCP(=O)(OC(C)C)OC(C)C)n1cnc2c(NC)ncnc21.CCCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cnc2c(NC)ncnc21.

What is the InChIKey of 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid?

The InChIKey is VJAAIBFLMCCHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5OSi.C19H34N5O4P.C16H28N5O4P.C13H22N5O4P.C12H19N5O/c1-6-13-22(33-21-32-25-26(29-5)30-20-31-27(25)33)18-19-34-35(28(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24;1-7-8-16(24-12-23-17-18(20-6)21-11-22-19(17)24)9-10-26-13-29(25,27-14(2)3)28-15(4)5;1-5-6-13(7-8-24-11-26(22,23)25-12(2)3)21-10-20-14-15(17-4)18-9-19-16(14)21;1-3-4-10(5-6-22-9-23(19,20)21)18-8-17-11-12(14-2)15-7-16-13(11)18;1-3-4-9(5-6-18)17-8-16-10-11(13-2)14-7-15-12(10)17/h7-12,14-17,20-22H,6,13,18-19H2,1-5H3,(H,29,30,31);11-12,14-16H,7-10,13H2,1-6H3,(H,20,21,22);9-10,12-13H,5-8,11H2,1-4H3,(H,22,23)(H,17,18,19);7-8,10H,3-6,9H2,1-2H3,(H,14,15,16)(H2,19,20,21);7-9,18H,3-6H2,1-2H3,(H,13,14,15).

What are the key properties of 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid?

9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid has a molecular weight of 1893.26 g/mol, XLogP of 16.32, 49 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-[tert-butyl(diphenyl)silyl]oxyhexan-3-yl]-N-methylpurin-6-amine;9-[1-[di(propan-2-yloxy)phosphorylmethoxy]hexan-3-yl]-N-methylpurin-6-amine;3-[6-(methylamino)purin-9-yl]hexan-1-ol;3-[6-(methylamino)purin-9-yl]hexoxymethylphosphonic acid;3-[6-(methylamino)purin-9-yl]hexoxymethyl-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 161312003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).