2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane

C10H13ClN2SSi — CID 134987020

IUPAC2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane
SMILESCSc1ncc(Cl)c(C#C[Si](C)(C)C)n1
InChIInChI=1S/C10H13ClN2SSi/c1-14-10-12-7-8(11)9(13-10)5-6-15(2,3)4/h7H,1-4H3
InChIKeyWLAJLEUAOUBHSX-UHFFFAOYSA-N
MW256.83 g/mol
LogP3.08
Rot. Bonds1

About 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane

2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane (PubChem CID 134987020) has the molecular formula C10H13ClN2SSi and a molecular weight of 256.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane
PubChem CID134987020
Molecular FormulaC10H13ClN2SSi
Molecular Weight256.83 g/mol
Exact Mass256.03
IUPAC Name2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane
SMILESCSc1ncc(Cl)c(C#C[Si](C)(C)C)n1
InChIInChI=1S/C10H13ClN2SSi/c1-14-10-12-7-8(11)9(13-10)5-6-15(2,3)4/h7H,1-4H3
InChIKeyWLAJLEUAOUBHSX-UHFFFAOYSA-N
XLogP3.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.83
LogP ≤ 53.08
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-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane (CID 134987020) is 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane is CSc1ncc(Cl)c(C#C[Si](C)(C)C)n1.
What is the InChIKey of 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane?
The InChIKey is WLAJLEUAOUBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2SSi/c1-14-10-12-7-8(11)9(13-10)5-6-15(2,3)4/h7H,1-4H3.
What are the key properties of 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane?
2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane has a molecular weight of 256.83 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylsulfanylpyrimidin-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 134987020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).