[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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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).