methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate

C12H20N2O4Si — CID 164536613

IUPACmethyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(OCC[Si](C)(C)C)n1
InChIInChI=1S/C12H20N2O4Si/c1-16-9-8-13-10(12(15)17-2)14-11(9)18-6-7-19(3,4)5/h8H,6-7H2,1-5H3
InChIKeyPGFIELIEANEIKA-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.99
Rot. Bonds6

About methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate

methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate (PubChem CID 164536613) has the molecular formula C12H20N2O4Si and a molecular weight of 284.39 g/mol. Its IUPAC name is methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate
PubChem CID164536613
Molecular FormulaC12H20N2O4Si
Molecular Weight284.39 g/mol
Exact Mass284.12
IUPAC Namemethyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(OC)c(OCC[Si](C)(C)C)n1
InChIInChI=1S/C12H20N2O4Si/c1-16-9-8-13-10(12(15)17-2)14-11(9)18-6-7-19(3,4)5/h8H,6-7H2,1-5H3
InChIKeyPGFIELIEANEIKA-UHFFFAOYSA-N
XLogP1.99
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate (CID 164536613) is methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate is COC(=O)c1ncc(OC)c(OCC[Si](C)(C)C)n1.
What is the InChIKey of methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate?
The InChIKey is PGFIELIEANEIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4Si/c1-16-9-8-13-10(12(15)17-2)14-11(9)18-6-7-19(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate?
methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate has a molecular weight of 284.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-(2-trimethylsilylethoxy)pyrimidine-2-carboxylate is sourced from PubChem (CID 164536613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).