9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine

C16H26ClN5O2Si — CID 11101039

IUPAC9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3c(N)nc(Cl)nc32)O1
InChIInChI=1S/C16H26ClN5O2Si/c1-16(2,3)25(4,5)23-8-10-6-7-11(24-10)22-9-19-12-13(18)20-15(17)21-14(12)22/h9-11H,6-8H2,1-5H3,(H2,18,20,21)/t10-,11-/m0/s1
InChIKeyGCPKPQDEEJCEFD-QWRGUYRKSA-N
MW383.96 g/mol
LogP3.76
Rot. Bonds4

About 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine

9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine (PubChem CID 11101039) has the molecular formula C16H26ClN5O2Si and a molecular weight of 383.96 g/mol. Its IUPAC name is 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine.

Molecular Properties

Compound Name9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
PubChem CID11101039
Molecular FormulaC16H26ClN5O2Si
Molecular Weight383.96 g/mol
Exact Mass383.15
IUPAC Name9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3c(N)nc(Cl)nc32)O1
InChIInChI=1S/C16H26ClN5O2Si/c1-16(2,3)25(4,5)23-8-10-6-7-11(24-10)22-9-19-12-13(18)20-15(17)21-14(12)22/h9-11H,6-8H2,1-5H3,(H2,18,20,21)/t10-,11-/m0/s1
InChIKeyGCPKPQDEEJCEFD-QWRGUYRKSA-N
XLogP3.76
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 53.76
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

acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
tert-butyl-[[(2S,5S)-5-(4-chloroimidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy]-dimethylsilane
CID 14680648
(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
CID 167580905
[(2S)-5-(6-amino-2-methylpurin-9-yl)oxolan-2-yl]methanol
CID 143654262
[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]thiolan-2-yl]methanol
CID 11731295
[5-(6-amino-2-chloropurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]thiolan-2-yl]methanol
CID 18446727
5-(6-amino-2-chloropurin-9-yl)-2-(sulfanyloxymethyl)oxolan-3-ol
CID 123536828
2-chloro-9-[(3S,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]purin-6-amine
CID 144762805
[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;ethane
CID 169190106

Frequently Asked Questions

What is the IUPAC name of 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine?
The IUPAC name of 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine (CID 11101039) is 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine.
What is the SMILES notation for 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine?
The canonical SMILES for 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](n2cnc3c(N)nc(Cl)nc32)O1.
What is the InChIKey of 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine?
The InChIKey is GCPKPQDEEJCEFD-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H26ClN5O2Si/c1-16(2,3)25(4,5)23-8-10-6-7-11(24-10)22-9-19-12-13(18)20-15(17)21-14(12)22/h9-11H,6-8H2,1-5H3,(H2,18,20,21)/t10-,11-/m0/s1.
What are the key properties of 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine?
9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine has a molecular weight of 383.96 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-chloropurin-6-amine is sourced from PubChem (CID 11101039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).