3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

C13H22ClFN2O3Si — CID 70202013

IUPAC3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(F)c(=O)n(CCCCl)c1=O
InChIInChI=1S/C13H22ClFN2O3Si/c1-21(2,3)8-7-20-10-16-9-11(15)12(18)17(13(16)19)6-4-5-14/h9H,4-8,10H2,1-3H3
InChIKeyWVEWCLJQNQUAQD-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.09
Rot. Bonds8

About 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione

3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (PubChem CID 70202013) has the molecular formula C13H22ClFN2O3Si and a molecular weight of 336.87 g/mol. Its IUPAC name is 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
PubChem CID70202013
Molecular FormulaC13H22ClFN2O3Si
Molecular Weight336.87 g/mol
Exact Mass336.11
IUPAC Name3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCOCn1cc(F)c(=O)n(CCCCl)c1=O
InChIInChI=1S/C13H22ClFN2O3Si/c1-21(2,3)8-7-20-10-16-9-11(15)12(18)17(13(16)19)6-4-5-14/h9H,4-8,10H2,1-3H3
InChIKeyWVEWCLJQNQUAQD-UHFFFAOYSA-N
XLogP2.09
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione (CID 70202013) is 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is C[Si](C)(C)CCOCn1cc(F)c(=O)n(CCCCl)c1=O.
What is the InChIKey of 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is WVEWCLJQNQUAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClFN2O3Si/c1-21(2,3)8-7-20-10-16-9-11(15)12(18)17(13(16)19)6-4-5-14/h9H,4-8,10H2,1-3H3.
What are the key properties of 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione?
3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 336.87 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 70202013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).