5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione

C8H11FN2O3S — CID 13076168

IUPAC5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
SMILESCSCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3S/c1-15-3-2-14-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyFAAXHZPWXHEYLR-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.01
Rot. Bonds5

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

5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione (PubChem CID 13076168) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
PubChem CID13076168
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
SMILESCSCCOCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3S/c1-15-3-2-14-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyFAAXHZPWXHEYLR-UHFFFAOYSA-N
XLogP0.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione (CID 13076168) is 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione is CSCCOCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is FAAXHZPWXHEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c1-15-3-2-14-5-11-4-6(9)7(12)10-8(11)13/h4H,2-3,5H2,1H3,(H,10,12,13).
What are the key properties of 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 13076168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).