5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione

C11H20N2O3Si — CID 150603171

IUPAC5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N2O3Si/c1-17(2,3)7-6-16-5-4-9-8-12-11(15)13-10(9)14/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISHWLROLDSZWQP-UHFFFAOYSA-N
MW256.38 g/mol
LogP0.96
Rot. Bonds6

About 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione

5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 150603171) has the molecular formula C11H20N2O3Si and a molecular weight of 256.38 g/mol. Its IUPAC name is 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID150603171
Molecular FormulaC11H20N2O3Si
Molecular Weight256.38 g/mol
Exact Mass256.12
IUPAC Name5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H20N2O3Si/c1-17(2,3)7-6-16-5-4-9-8-12-11(15)13-10(9)14/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyISHWLROLDSZWQP-UHFFFAOYSA-N
XLogP0.96
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione (CID 150603171) is 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione is C[Si](C)(C)CCOCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ISHWLROLDSZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3Si/c1-17(2,3)7-6-16-5-4-9-8-12-11(15)13-10(9)14/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 256.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-trimethylsilylethoxy)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150603171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).