5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione

C11H20N2O4Si — CID 67594826

IUPAC5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c[nH]c(=O)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C11H20N2O4Si/c1-16-9-7-12-11(15)13(10(9)14)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,12,15)
InChIKeyHEQUTMQWEMDWAU-UHFFFAOYSA-N
MW272.38 g/mol
LogP0.86
Rot. Bonds6

About 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione

5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 67594826) has the molecular formula C11H20N2O4Si and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID67594826
Molecular FormulaC11H20N2O4Si
Molecular Weight272.38 g/mol
Exact Mass272.12
IUPAC Name5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c[nH]c(=O)n(COCC[Si](C)(C)C)c1=O
InChIInChI=1S/C11H20N2O4Si/c1-16-9-7-12-11(15)13(10(9)14)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,12,15)
InChIKeyHEQUTMQWEMDWAU-UHFFFAOYSA-N
XLogP0.86
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-1-(2-trimethylsilylethoxymethyl)quinazoline-2,4-dione
CID 18753664
6-iodo-5-methoxy-3-(2-trimethylsilylethoxymethyl)-1,3-benzoxazol-2-one
CID 176901327
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90258343
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
3-ethyl-2-iodo-1,5-bis(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602918
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
2-bromo-3-(2-trimethylsilylethoxymethyl)-5H-imidazo[4,5-c]pyridin-4-one
CID 23137328
3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 10690680
2-benzyl-3-hydroxy-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602800

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione (CID 67594826) is 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione is COc1c[nH]c(=O)n(COCC[Si](C)(C)C)c1=O.
What is the InChIKey of 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HEQUTMQWEMDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4Si/c1-16-9-7-12-11(15)13(10(9)14)8-17-5-6-18(2,3)4/h7H,5-6,8H2,1-4H3,(H,12,15).
What are the key properties of 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione?
5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 272.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67594826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).