4-ethoxy-1-trimethylsilylpyrimidin-2-one

C9H16N2O2Si — CID 154158661

IUPAC4-ethoxy-1-trimethylsilylpyrimidin-2-one
SMILESCCOc1ccn([Si](C)(C)C)c(=O)n1
InChIInChI=1S/C9H16N2O2Si/c1-5-13-8-6-7-11(9(12)10-8)14(2,3)4/h6-7H,5H2,1-4H3
InChIKeyNXEZZRHUGXFIOS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.33
Rot. Bonds3

About 4-ethoxy-1-trimethylsilylpyrimidin-2-one

4-ethoxy-1-trimethylsilylpyrimidin-2-one (PubChem CID 154158661) has the molecular formula C9H16N2O2Si and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-ethoxy-1-trimethylsilylpyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-trimethylsilylpyrimidin-2-one
PubChem CID154158661
Molecular FormulaC9H16N2O2Si
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-ethoxy-1-trimethylsilylpyrimidin-2-one
SMILESCCOc1ccn([Si](C)(C)C)c(=O)n1
InChIInChI=1S/C9H16N2O2Si/c1-5-13-8-6-7-11(9(12)10-8)14(2,3)4/h6-7H,5H2,1-4H3
InChIKeyNXEZZRHUGXFIOS-UHFFFAOYSA-N
XLogP1.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-trimethylsilylpyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-trimethylsilylpyrimidin-2-one (CID 154158661) is 4-ethoxy-1-trimethylsilylpyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-trimethylsilylpyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-trimethylsilylpyrimidin-2-one is CCOc1ccn([Si](C)(C)C)c(=O)n1.
What is the InChIKey of 4-ethoxy-1-trimethylsilylpyrimidin-2-one?
The InChIKey is NXEZZRHUGXFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2Si/c1-5-13-8-6-7-11(9(12)10-8)14(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 4-ethoxy-1-trimethylsilylpyrimidin-2-one?
4-ethoxy-1-trimethylsilylpyrimidin-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-trimethylsilylpyrimidin-2-one is sourced from PubChem (CID 154158661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).