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

C11H19FN2O3Si — CID 14515753

IUPAC5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H19FN2O3Si/c1-18(2,3)6-4-5-17-8-14-7-9(12)10(15)13-11(14)16/h7H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyVWFAYQBRJBGICY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.38
Rot. Bonds6

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

5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione (PubChem CID 14515753) has the molecular formula C11H19FN2O3Si and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
PubChem CID14515753
Molecular FormulaC11H19FN2O3Si
Molecular Weight274.37 g/mol
Exact Mass274.11
IUPAC Name5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
SMILESC[Si](C)(C)CCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H19FN2O3Si/c1-18(2,3)6-4-5-17-8-14-7-9(12)10(15)13-11(14)16/h7H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyVWFAYQBRJBGICY-UHFFFAOYSA-N
XLogP1.38
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 13076168
5-fluoro-1-(2-phenylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 171988633
3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
CID 70558578
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
CID 3010090
3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 70202013
1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione
CID 10359442
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl 2-(16-trimethylsilylhexadecoxy)ethyl hydrogen phosphate
CID 162744223
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
CID 10377149
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
CID 15172520

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione (CID 14515753) is 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione is C[Si](C)(C)CCCOCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione?
The InChIKey is VWFAYQBRJBGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3Si/c1-18(2,3)6-4-5-17-8-14-7-9(12)10(15)13-11(14)16/h7H,4-6,8H2,1-3H3,(H,13,15,16).
What are the key properties of 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione?
5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione has a molecular weight of 274.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 14515753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).