methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate

C18H23ClN2O4Si — CID 162361540

IUPACmethyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
SMILESCOC(=O)c1ccc(-c2ccnc(Cl)n2)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C18H23ClN2O4Si/c1-23-17(22)13-5-6-14(15-7-8-20-18(19)21-15)16(11-13)25-12-24-9-10-26(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyUTYCSNGAFPVSJP-UHFFFAOYSA-N
MW394.93 g/mol
LogP4.27
Rot. Bonds8

About methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate

methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate (PubChem CID 162361540) has the molecular formula C18H23ClN2O4Si and a molecular weight of 394.93 g/mol. Its IUPAC name is methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
PubChem CID162361540
Molecular FormulaC18H23ClN2O4Si
Molecular Weight394.93 g/mol
Exact Mass394.11
IUPAC Namemethyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate
SMILESCOC(=O)c1ccc(-c2ccnc(Cl)n2)c(OCOCC[Si](C)(C)C)c1
InChIInChI=1S/C18H23ClN2O4Si/c1-23-17(22)13-5-6-14(15-7-8-20-18(19)21-15)16(11-13)25-12-24-9-10-26(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyUTYCSNGAFPVSJP-UHFFFAOYSA-N
XLogP4.27
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.93
LogP ≤ 54.27
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate with MolForge

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Related Compounds

methane;methyl 3-(2-chloropyrimidin-4-yl)-1-methylindole-6-carboxylate
CID 157341662
methyl 1-[3-methoxy-4-(2-trimethylsilylethoxymethoxy)phenyl]-2-oxopyridine-4-carboxylate
CID 58580277
methyl 8-bromo-4-(2-trimethylsilylethoxymethoxy)naphthalene-2-carboxylate
CID 21023517
methyl 4-(3-aminocyclobutyl)oxy-3-hydroxybenzoate;methyl 4-(3-methylcyclobutyl)oxy-3-(2-trimethylsilylethoxymethoxy)benzoate
CID 160690564
methyl 4-[5-chloro-2-(5-fluoro-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-methylbenzoate
CID 176706576
methyl 4-amino-3-[4-amino-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]benzoate
CID 171630161
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 2-[6-chloro-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 68680030
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate?
The IUPAC name of methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate (CID 162361540) is methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate.
What is the SMILES notation for methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate?
The canonical SMILES for methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate is COC(=O)c1ccc(-c2ccnc(Cl)n2)c(OCOCC[Si](C)(C)C)c1.
What is the InChIKey of methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate?
The InChIKey is UTYCSNGAFPVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4Si/c1-23-17(22)13-5-6-14(15-7-8-20-18(19)21-15)16(11-13)25-12-24-9-10-26(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate?
methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate has a molecular weight of 394.93 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloropyrimidin-4-yl)-3-(2-trimethylsilylethoxymethoxy)benzoate is sourced from PubChem (CID 162361540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).