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

C10H11FN2O3 — CID 10846846

IUPAC5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
SMILESO=C1CCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c11-6-5-13(10(16)12-9(6)15)7-3-1-2-4-8(7)14/h5,7H,1-4H2,(H,12,15,16)
InChIKeyVOSUNXYJUNRTOY-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.36
Rot. Bonds1

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

5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione (PubChem CID 10846846) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
PubChem CID10846846
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
SMILESO=C1CCCCC1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c11-6-5-13(10(16)12-9(6)15)7-3-1-2-4-8(7)14/h5,7H,1-4H2,(H,12,15,16)
InChIKeyVOSUNXYJUNRTOY-UHFFFAOYSA-N
XLogP0.36
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
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1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
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5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
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5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
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2-(azetidin-1-yl)cyclohexan-1-one;benzene
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5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione (CID 10846846) is 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione is O=C1CCCCC1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione?
The InChIKey is VOSUNXYJUNRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-6-5-13(10(16)12-9(6)15)7-3-1-2-4-8(7)14/h5,7H,1-4H2,(H,12,15,16).
What are the key properties of 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione?
5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione has a molecular weight of 226.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10846846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).