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

C17H29N5O2Si — CID 163886301

IUPAC9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C17H29N5O2Si/c1-7-11-8-12(24-25(5,6)17(2,3)4)16(23-11)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,16H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12-,16-/m1/s1
InChIKeyKXTMIGIYLFLXGB-XHBSWPGZSA-N
MW363.54 g/mol
LogP3.50
Rot. Bonds4

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

9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine (PubChem CID 163886301) has the molecular formula C17H29N5O2Si and a molecular weight of 363.54 g/mol. Its IUPAC name is 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
PubChem CID163886301
Molecular FormulaC17H29N5O2Si
Molecular Weight363.54 g/mol
Exact Mass363.21
IUPAC Name9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
SMILESCC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C17H29N5O2Si/c1-7-11-8-12(24-25(5,6)17(2,3)4)16(23-11)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,16H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12-,16-/m1/s1
InChIKeyKXTMIGIYLFLXGB-XHBSWPGZSA-N
XLogP3.50
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
9-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(chloromethyl)oxolan-2-yl]purin-6-amine
CID 177352538
9-[3-hydroperoxy-5-(hydroperoxymethyl)oxolan-2-yl]purin-6-amine
CID 88990119
9-[(2R,4S,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine
CID 159630794
[(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-hydroperoxy-4-methyloxolan-2-yl]purin-6-amine
CID 163737131
2-[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[(propan-2-ylamino)methyl]oxolan-3-yl]oxypropan-2-yloxidanium
CID 149170503
9-[(2R,3R,4R,5R)-5-(azidomethyl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]purin-6-amine
CID 91182722
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] butanoate
CID 146018021
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloxolan-2-yl]methanol
CID 18650236

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine (CID 163886301) is 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine is CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N)ncnc32)O1.
What is the InChIKey of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
The InChIKey is KXTMIGIYLFLXGB-XHBSWPGZSA-N. The full InChI is InChI=1S/C17H29N5O2Si/c1-7-11-8-12(24-25(5,6)17(2,3)4)16(23-11)22-10-21-13-14(18)19-9-20-15(13)22/h9-12,16H,7-8H2,1-6H3,(H2,18,19,20)/t11-,12-,16-/m1/s1.
What are the key properties of 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine?
9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine has a molecular weight of 363.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyloxolan-2-yl]purin-6-amine is sourced from PubChem (CID 163886301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).