9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine

C17H28N8O2Si — CID 159630794

IUPAC9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C17H28N8O2Si/c1-7-10-11(23-24-19)13(27-28(5,6)17(2,3)4)16(26-10)25-9-22-12-14(18)20-8-21-15(12)25/h8-11,13,16H,7H2,1-6H3,(H2,18,20,21)/t10-,11+,13?,16-/m1/s1
InChIKeyCKZPJBBCEVTZJA-CJMHWFOOSA-N
MW404.55 g/mol
LogP3.79
Rot. Bonds5

About 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine

9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine (PubChem CID 159630794) has the molecular formula C17H28N8O2Si and a molecular weight of 404.55 g/mol. Its IUPAC name is 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
PubChem CID159630794
Molecular FormulaC17H28N8O2Si
Molecular Weight404.55 g/mol
Exact Mass404.21
IUPAC Name9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C17H28N8O2Si/c1-7-10-11(23-24-19)13(27-28(5,6)17(2,3)4)16(26-10)25-9-22-12-14(18)20-8-21-15(12)25/h8-11,13,16H,7H2,1-6H3,(H2,18,20,21)/t10-,11+,13?,16-/m1/s1
InChIKeyCKZPJBBCEVTZJA-CJMHWFOOSA-N
XLogP3.79
TPSA136.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)oxolan-3-ol;N,N-diethylethanamine
CID 67863411
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 163886301
(2R,3S,4S,5S)-2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
CID 6482482
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(hydroxymethyl)oxolan-3-ol
CID 71209801
[(2R,3R,4R,5R)-5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 46211348
[5-(6-azidopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 75149881
9-[(2R,3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-(morpholin-4-ylmethyl)oxolan-2-yl]purin-6-amine
CID 162155117
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine (CID 159630794) is 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine is CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O[Si](C)(C)C(C)(C)C)[C@H]1N=[N+]=[N-].
What is the InChIKey of 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The InChIKey is CKZPJBBCEVTZJA-CJMHWFOOSA-N. The full InChI is InChI=1S/C17H28N8O2Si/c1-7-10-11(23-24-19)13(27-28(5,6)17(2,3)4)16(26-10)25-9-22-12-14(18)20-8-21-15(12)25/h8-11,13,16H,7H2,1-6H3,(H2,18,20,21)/t10-,11+,13?,16-/m1/s1.
What are the key properties of 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine has a molecular weight of 404.55 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine is sourced from PubChem (CID 159630794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).