5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one

C9H7FN2OS — CID 106518511

IUPAC5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2[nH]c(=O)ncc2F)cs1
InChIInChI=1S/C9H7FN2OS/c1-5-2-6(4-14-5)8-7(10)3-11-9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyVUSMYBFXUBDCQC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.95
Rot. Bonds1

About 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one

5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one (PubChem CID 106518511) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
PubChem CID106518511
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2[nH]c(=O)ncc2F)cs1
InChIInChI=1S/C9H7FN2OS/c1-5-2-6(4-14-5)8-7(10)3-11-9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyVUSMYBFXUBDCQC-UHFFFAOYSA-N
XLogP1.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one (CID 106518511) is 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one is Cc1cc(-c2[nH]c(=O)ncc2F)cs1.
What is the InChIKey of 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one?
The InChIKey is VUSMYBFXUBDCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c1-5-2-6(4-14-5)8-7(10)3-11-9(13)12-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one?
5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(5-methylthiophen-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106518511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).