methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate

C19H25FN2O3Si — CID 131745605

IUPACmethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncncc2F)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H25FN2O3Si/c1-19(2,3)26(5,6)25-11-14-9-13(18(23)24-4)7-8-15(14)17-16(20)10-21-12-22-17/h7-10,12H,11H2,1-6H3
InChIKeyMFRSBYOMJSLVGZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.59
Rot. Bonds5

About methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate (PubChem CID 131745605) has the molecular formula C19H25FN2O3Si and a molecular weight of 376.50 g/mol. Its IUPAC name is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate
PubChem CID131745605
Molecular FormulaC19H25FN2O3Si
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Namemethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ncncc2F)c(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C19H25FN2O3Si/c1-19(2,3)26(5,6)25-11-14-9-13(18(23)24-4)7-8-15(14)17-16(20)10-21-12-22-17/h7-10,12H,11H2,1-6H3
InChIKeyMFRSBYOMJSLVGZ-UHFFFAOYSA-N
XLogP4.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate?
The IUPAC name of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate (CID 131745605) is methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate.
What is the SMILES notation for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate?
The canonical SMILES for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate is COC(=O)c1ccc(-c2ncncc2F)c(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate?
The InChIKey is MFRSBYOMJSLVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3Si/c1-19(2,3)26(5,6)25-11-14-9-13(18(23)24-4)7-8-15(14)17-16(20)10-21-12-22-17/h7-10,12H,11H2,1-6H3.
What are the key properties of methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate?
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate has a molecular weight of 376.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(5-fluoropyrimidin-4-yl)benzoate is sourced from PubChem (CID 131745605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).