5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane

C6H8FN2O3S- — CID 139244250

IUPAC5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane
SMILESCS(C)=O.O=c1[nH]c([O-])ncc1F
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/p-1
InChIKeyFAXFJGBICSUCQT-UHFFFAOYSA-M
MW207.21 g/mol
LogP-1.02
Rot. Bonds

About 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane

5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane (PubChem CID 139244250) has the molecular formula C6H8FN2O3S- and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane.

Molecular Properties

Compound Name5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane
PubChem CID139244250
Molecular FormulaC6H8FN2O3S-
Molecular Weight207.21 g/mol
Exact Mass207.02
IUPAC Name5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane
SMILESCS(C)=O.O=c1[nH]c([O-])ncc1F
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/p-1
InChIKeyFAXFJGBICSUCQT-UHFFFAOYSA-M
XLogP-1.02
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane?
The IUPAC name of 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane (CID 139244250) is 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane.
What is the SMILES notation for 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane?
The canonical SMILES for 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane is CS(C)=O.O=c1[nH]c([O-])ncc1F.
What is the InChIKey of 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane?
The InChIKey is FAXFJGBICSUCQT-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane?
5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane has a molecular weight of 207.21 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-1H-pyrimidin-2-olate;methylsulfinylmethane is sourced from PubChem (CID 139244250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).