6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one

C9H12N2OSi — CID 22619750

IUPAC6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C#Cc1ccnc(=O)[nH]1
InChIInChI=1S/C9H12N2OSi/c1-13(2,3)7-5-8-4-6-10-9(12)11-8/h4,6H,1-3H3,(H,10,11,12)
InChIKeyQFROZWHKZFMCCI-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.00
Rot. Bonds

About 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one

6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one (PubChem CID 22619750) has the molecular formula C9H12N2OSi and a molecular weight of 192.29 g/mol. Its IUPAC name is 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
PubChem CID22619750
Molecular FormulaC9H12N2OSi
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
SMILESC[Si](C)(C)C#Cc1ccnc(=O)[nH]1
InChIInChI=1S/C9H12N2OSi/c1-13(2,3)7-5-8-4-6-10-9(12)11-8/h4,6H,1-3H3,(H,10,11,12)
InChIKeyQFROZWHKZFMCCI-UHFFFAOYSA-N
XLogP1.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one (CID 22619750) is 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one is C[Si](C)(C)C#Cc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
The InChIKey is QFROZWHKZFMCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OSi/c1-13(2,3)7-5-8-4-6-10-9(12)11-8/h4,6H,1-3H3,(H,10,11,12).
What are the key properties of 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one?
6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one has a molecular weight of 192.29 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 22619750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).