tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane

C21H29ClN4O2Si — CID 151919127

IUPACtert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1c(COCc2ccccc2)nc2c(Cl)ncnc21
InChIInChI=1S/C21H29ClN4O2Si/c1-21(2,3)29(4,5)28-12-11-26-17(14-27-13-16-9-7-6-8-10-16)25-18-19(22)23-15-24-20(18)26/h6-10,15H,11-14H2,1-5H3
InChIKeySWKAMNBOQCCSJF-UHFFFAOYSA-N
MW433.03 g/mol
LogP5.22
Rot. Bonds8

About tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane

tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane (PubChem CID 151919127) has the molecular formula C21H29ClN4O2Si and a molecular weight of 433.03 g/mol. Its IUPAC name is tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane
PubChem CID151919127
Molecular FormulaC21H29ClN4O2Si
Molecular Weight433.03 g/mol
Exact Mass432.17
IUPAC Nametert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1c(COCc2ccccc2)nc2c(Cl)ncnc21
InChIInChI=1S/C21H29ClN4O2Si/c1-21(2,3)29(4,5)28-12-11-26-17(14-27-13-16-9-7-6-8-10-16)25-18-19(22)23-15-24-20(18)26/h6-10,15H,11-14H2,1-5H3
InChIKeySWKAMNBOQCCSJF-UHFFFAOYSA-N
XLogP5.22
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.03
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl-[(3R,4R)-4-(6-chloropurin-9-yl)-1-phenylpentan-3-yl]oxy-dimethylsilane
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tert-butyl-dimethyl-(2-phenylethoxy)silane
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6-chloro-8-(5-diethoxyphosphorylfuran-2-yl)-9-(2-phenylethyl)purine
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ethyl 5-[6-chloro-9-(2-phenylethyl)purin-8-yl]furan-2-carboxylate
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6-chloro-9-[(2S,3S)-2-(2-phenylmethoxyethyl)oxolan-3-yl]purine
CID 100985058
6-chloro-9-[(1S,2R,4S,5R,6R)-8,8-dimethyl-5-(phenylmethoxymethyl)-7,9-dioxatricyclo[4.3.0.02,4]nonan-2-yl]purine
CID 10550395
[(3S)-3-[(6-chloropurin-9-yl)methoxy]-5-phenylmethoxypentyl] 2,2-dimethylpropanoate
CID 22214968
tert-butyl-[2-[(2S,3R)-3-(6-chloropurin-9-yl)oxolan-2-yl]ethoxy]-diphenylsilane
CID 134835032

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane (CID 151919127) is tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1c(COCc2ccccc2)nc2c(Cl)ncnc21.
What is the InChIKey of tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane?
The InChIKey is SWKAMNBOQCCSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2Si/c1-21(2,3)29(4,5)28-12-11-26-17(14-27-13-16-9-7-6-8-10-16)25-18-19(22)23-15-24-20(18)26/h6-10,15H,11-14H2,1-5H3.
What are the key properties of tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane?
tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane has a molecular weight of 433.03 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane is sourced from PubChem (CID 151919127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).