trimethyl(2-pyrimidin-5-ylethynyl)silane

C9H12N2Si — CID 15349669

IUPACtrimethyl(2-pyrimidin-5-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cncnc1
InChIInChI=1S/C9H12N2Si/c1-12(2,3)5-4-9-6-10-8-11-7-9/h6-8H,1-3H3
InChIKeyBESYUGWNHQDZIK-UHFFFAOYSA-N
MW176.29 g/mol
LogP1.71
Rot. Bonds

About trimethyl(2-pyrimidin-5-ylethynyl)silane

trimethyl(2-pyrimidin-5-ylethynyl)silane (PubChem CID 15349669) has the molecular formula C9H12N2Si and a molecular weight of 176.29 g/mol. Its IUPAC name is trimethyl(2-pyrimidin-5-ylethynyl)silane.

Molecular Properties

Compound Nametrimethyl(2-pyrimidin-5-ylethynyl)silane
PubChem CID15349669
Molecular FormulaC9H12N2Si
Molecular Weight176.29 g/mol
Exact Mass176.08
IUPAC Nametrimethyl(2-pyrimidin-5-ylethynyl)silane
SMILESC[Si](C)(C)C#Cc1cncnc1
InChIInChI=1S/C9H12N2Si/c1-12(2,3)5-4-9-6-10-8-11-7-9/h6-8H,1-3H3
InChIKeyBESYUGWNHQDZIK-UHFFFAOYSA-N
XLogP1.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl(2-pyrimidin-5-ylethynyl)silane?
The IUPAC name of trimethyl(2-pyrimidin-5-ylethynyl)silane (CID 15349669) is trimethyl(2-pyrimidin-5-ylethynyl)silane.
What is the SMILES notation for trimethyl(2-pyrimidin-5-ylethynyl)silane?
The canonical SMILES for trimethyl(2-pyrimidin-5-ylethynyl)silane is C[Si](C)(C)C#Cc1cncnc1.
What is the InChIKey of trimethyl(2-pyrimidin-5-ylethynyl)silane?
The InChIKey is BESYUGWNHQDZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2Si/c1-12(2,3)5-4-9-6-10-8-11-7-9/h6-8H,1-3H3.
What are the key properties of trimethyl(2-pyrimidin-5-ylethynyl)silane?
trimethyl(2-pyrimidin-5-ylethynyl)silane has a molecular weight of 176.29 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-pyrimidin-5-ylethynyl)silane is sourced from PubChem (CID 15349669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).