ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate

C13H22N2O4Si — CID 59006647

IUPACethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C13H22N2O4Si/c1-5-19-13(17)11-8-12(16)15(9-14-11)10-18-6-7-20(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeySGUXIYPFGKMPHA-UHFFFAOYSA-N
MW298.42 g/mol
LogP1.73
Rot. Bonds7

About ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate

ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate (PubChem CID 59006647) has the molecular formula C13H22N2O4Si and a molecular weight of 298.42 g/mol. Its IUPAC name is ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
PubChem CID59006647
Molecular FormulaC13H22N2O4Si
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Nameethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(=O)n(COCC[Si](C)(C)C)cn1
InChIInChI=1S/C13H22N2O4Si/c1-5-19-13(17)11-8-12(16)15(9-14-11)10-18-6-7-20(2,3)4/h8-9H,5-7,10H2,1-4H3
InChIKeySGUXIYPFGKMPHA-UHFFFAOYSA-N
XLogP1.73
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethyl 5-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 59677265
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
CID 140713204
ethyl 5-formyl-4-methyl-1-(2-trimethylsilylethoxymethyl)pyrrole-3-carboxylate
CID 90036511
ethyl 3-prop-1-ynyl-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 163216453
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
2-(chloromethoxy)ethyl-trimethylsilane;diethyl 1H-pyrazole-3,5-dicarboxylate;diethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarboxylate
CID 165098881
ethyl 2-imidazol-1-yl-7-(2-trimethylsilylethoxymethyl)purine-6-carboxylate
CID 155786281
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate (CID 59006647) is ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate is CCOC(=O)c1cc(=O)n(COCC[Si](C)(C)C)cn1.
What is the InChIKey of ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate?
The InChIKey is SGUXIYPFGKMPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4Si/c1-5-19-13(17)11-8-12(16)15(9-14-11)10-18-6-7-20(2,3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate?
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate has a molecular weight of 298.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 59006647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).