6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine

C20H39N5O3Si2 — CID 91696896

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCCOCn1cnc2c(O[Si](C)(C)C(C)(C)C)nc(N)nc21
InChIInChI=1S/C20H39N5O3Si2/c1-19(2,3)29(7,8)27-12-11-26-14-25-13-22-15-16(25)23-18(21)24-17(15)28-30(9,10)20(4,5)6/h13H,11-12,14H2,1-10H3,(H2,21,23,24)
InChIKeyKMASDMZRYBOHLM-UHFFFAOYSA-N
MW453.74 g/mol
LogP4.79
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine

6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine (PubChem CID 91696896) has the molecular formula C20H39N5O3Si2 and a molecular weight of 453.74 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine
PubChem CID91696896
Molecular FormulaC20H39N5O3Si2
Molecular Weight453.74 g/mol
Exact Mass453.26
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCCOCn1cnc2c(O[Si](C)(C)C(C)(C)C)nc(N)nc21
InChIInChI=1S/C20H39N5O3Si2/c1-19(2,3)29(7,8)27-12-11-26-14-25-13-22-15-16(25)23-18(21)24-17(15)28-30(9,10)20(4,5)6/h13H,11-12,14H2,1-10H3,(H2,21,23,24)
InChIKeyKMASDMZRYBOHLM-UHFFFAOYSA-N
XLogP4.79
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.74
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine (CID 91696896) is 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine is CC(C)(C)[Si](C)(C)OCCOCn1cnc2c(O[Si](C)(C)C(C)(C)C)nc(N)nc21.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine?
The InChIKey is KMASDMZRYBOHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O3Si2/c1-19(2,3)29(7,8)27-12-11-26-14-25-13-22-15-16(25)23-18(21)24-17(15)28-30(9,10)20(4,5)6/h13H,11-12,14H2,1-10H3,(H2,21,23,24).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine?
6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine has a molecular weight of 453.74 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]purin-2-amine is sourced from PubChem (CID 91696896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).