[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane

C13H23N5O2Si — CID 90968003

IUPAC[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
SMILESCOc1ncc(C(CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])cn1
InChIInChI=1S/C13H23N5O2Si/c1-13(2,3)21(5,6)20-9-11(17-18-14)10-7-15-12(19-4)16-8-10/h7-8,11H,9H2,1-6H3
InChIKeyJUJULGVMIJCCEL-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.86
Rot. Bonds6

About [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane

[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane (PubChem CID 90968003) has the molecular formula C13H23N5O2Si and a molecular weight of 309.45 g/mol. Its IUPAC name is [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
PubChem CID90968003
Molecular FormulaC13H23N5O2Si
Molecular Weight309.45 g/mol
Exact Mass309.16
IUPAC Name[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
SMILESCOc1ncc(C(CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])cn1
InChIInChI=1S/C13H23N5O2Si/c1-13(2,3)21(5,6)20-9-11(17-18-14)10-7-15-12(19-4)16-8-10/h7-8,11H,9H2,1-6H3
InChIKeyJUJULGVMIJCCEL-UHFFFAOYSA-N
XLogP3.86
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
CID 90032368
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
CID 57239687
tert-butyl-(2-isothiocyanato-2-phenylethoxy)-dimethylsilane
CID 85240498
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
CID 10883732
N-[2-[tert-butyl(dimethyl)silyl]oxy-1-(6-propoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 78034981
tert-butyl-[(2R)-2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-2-phenylethoxy]-dimethylsilane
CID 153432727

Frequently Asked Questions

What is the IUPAC name of [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane (CID 90968003) is [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane is COc1ncc(C(CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])cn1.
What is the InChIKey of [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is JUJULGVMIJCCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2Si/c1-13(2,3)21(5,6)20-9-11(17-18-14)10-7-15-12(19-4)16-8-10/h7-8,11H,9H2,1-6H3.
What are the key properties of [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane?
[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 309.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 90968003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).