9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine

C33H67N5O2Si3 — CID 132574870

IUPAC9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
SMILESCCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36)
InChIKeyKPFUBESLKNBNNS-UHFFFAOYSA-N
MW650.19 g/mol
LogP10.66
Rot. Bonds26

About 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine

9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine (PubChem CID 132574870) has the molecular formula C33H67N5O2Si3 and a molecular weight of 650.19 g/mol. Its IUPAC name is 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine.

Molecular Properties

Compound Name9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
PubChem CID132574870
Molecular FormulaC33H67N5O2Si3
Molecular Weight650.19 g/mol
Exact Mass649.46
IUPAC Name9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine
SMILESCCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36)
InChIKeyKPFUBESLKNBNNS-UHFFFAOYSA-N
XLogP10.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.19
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The IUPAC name of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine (CID 132574870) is 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine.
What is the SMILES notation for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The canonical SMILES for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine is CCCCCCCCCCCCCCCNc1ncnc2c1ncn2CCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
The InChIKey is KPFUBESLKNBNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67N5O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-32-31-33(36-29-35-32)38(30-37-31)27-24-21-22-25-28-42(5,6)40-43(7,8)39-41(2,3)4/h29-30H,9-28H2,1-8H3,(H,34,35,36).
What are the key properties of 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine?
9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine has a molecular weight of 650.19 g/mol, XLogP of 10.66, 26 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]hexyl]-N-pentadecylpurin-6-amine is sourced from PubChem (CID 132574870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).