2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate

C20H26N2O5Si — CID 15239537

IUPAC2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate
SMILESC=Cc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H26N2O5Si/c1-7-14-9-8-10-15(18(14)19(23)26-11-12-28(4,5)6)27-20-21-16(24-2)13-17(22-20)25-3/h7-10,13H,1,11-12H2,2-6H3
InChIKeyJAZQNQNEKLRNDR-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.42
Rot. Bonds9

About 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate

2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate (PubChem CID 15239537) has the molecular formula C20H26N2O5Si and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate
PubChem CID15239537
Molecular FormulaC20H26N2O5Si
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate
SMILESC=Cc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H26N2O5Si/c1-7-14-9-8-10-15(18(14)19(23)26-11-12-28(4,5)6)27-20-21-16(24-2)13-17(22-20)25-3/h7-10,13H,1,11-12H2,2-6H3
InChIKeyJAZQNQNEKLRNDR-UHFFFAOYSA-N
XLogP4.42
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate?
The IUPAC name of 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate (CID 15239537) is 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate.
What is the SMILES notation for 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate?
The canonical SMILES for 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate is C=Cc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate?
The InChIKey is JAZQNQNEKLRNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5Si/c1-7-14-9-8-10-15(18(14)19(23)26-11-12-28(4,5)6)27-20-21-16(24-2)13-17(22-20)25-3/h7-10,13H,1,11-12H2,2-6H3.
What are the key properties of 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate?
2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate has a molecular weight of 402.52 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-ethenylbenzoate is sourced from PubChem (CID 15239537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).