2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane

C10H13FN2OSi — CID 67327167

IUPAC2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane
SMILESCOc1nc(C#C[Si](C)(C)C)ncc1F
InChIInChI=1S/C10H13FN2OSi/c1-14-10-8(11)7-12-9(13-10)5-6-15(2,3)4/h7H,1-4H3
InChIKeyOQHNTYOREJUAIU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.85
Rot. Bonds1

About 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane

2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane (PubChem CID 67327167) has the molecular formula C10H13FN2OSi and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane
PubChem CID67327167
Molecular FormulaC10H13FN2OSi
Molecular Weight224.31 g/mol
Exact Mass224.08
IUPAC Name2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane
SMILESCOc1nc(C#C[Si](C)(C)C)ncc1F
InChIInChI=1S/C10H13FN2OSi/c1-14-10-8(11)7-12-9(13-10)5-6-15(2,3)4/h7H,1-4H3
InChIKeyOQHNTYOREJUAIU-UHFFFAOYSA-N
XLogP1.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane (CID 67327167) is 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane is COc1nc(C#C[Si](C)(C)C)ncc1F.
What is the InChIKey of 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane?
The InChIKey is OQHNTYOREJUAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OSi/c1-14-10-8(11)7-12-9(13-10)5-6-15(2,3)4/h7H,1-4H3.
What are the key properties of 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane?
2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane has a molecular weight of 224.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methoxypyrimidin-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 67327167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).