5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane

C6H9FN2O3S — CID 71416720

IUPAC5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane
SMILESCS(C)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2.C2H6OS/c5-2-1-6-4(9)7-3(2)8;1-4(2)3/h1H,(H2,6,7,8,9);1-2H3
InChIKeyFAXFJGBICSUCQT-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.80
Rot. Bonds

About 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane

5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane (PubChem CID 71416720) has the molecular formula C6H9FN2O3S and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane.

Molecular Properties

Compound Name5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane
PubChem CID71416720
Molecular FormulaC6H9FN2O3S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane
SMILESCS(C)=O.O=c1[nH]cc(F)c(=O)[nH]1
InChIInChI=1S/C4H3FN2O2.C2H6OS/c5-2-1-6-4(9)7-3(2)8;1-4(2)3/h1H,(H2,6,7,8,9);1-2H3
InChIKeyFAXFJGBICSUCQT-UHFFFAOYSA-N
XLogP-0.80
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane?
The IUPAC name of 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane (CID 71416720) is 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane.
What is the SMILES notation for 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane?
The canonical SMILES for 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane is CS(C)=O.O=c1[nH]cc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane?
The InChIKey is FAXFJGBICSUCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.C2H6OS/c5-2-1-6-4(9)7-3(2)8;1-4(2)3/h1H,(H2,6,7,8,9);1-2H3.
What are the key properties of 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane?
5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane has a molecular weight of 208.21 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrimidine-2,4-dione;methylsulfinylmethane is sourced from PubChem (CID 71416720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).