5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione

C9H7FN2O4 — CID 52916693

IUPAC5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
SMILESO=C1C=CCO[C@@H]1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1
InChIKeySEVHTONQYXGODI-QMMMGPOBSA-N
MW226.16 g/mol
LogP-0.67
Rot. Bonds1

About 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione

5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione (PubChem CID 52916693) has the molecular formula C9H7FN2O4 and a molecular weight of 226.16 g/mol. Its IUPAC name is 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
PubChem CID52916693
Molecular FormulaC9H7FN2O4
Molecular Weight226.16 g/mol
Exact Mass226.04
IUPAC Name5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
SMILESO=C1C=CCO[C@@H]1n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1
InChIKeySEVHTONQYXGODI-QMMMGPOBSA-N
XLogP-0.67
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione
CID 52916692
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
1-[(1S,3S,5S)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]-5-fluoropyrimidine-2,4-dione
CID 10799340
5-fluoro-1-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]pyrimidine-2,4-dione
CID 26501923
5-fluoro-1-(2-oxocyclobutyl)pyrimidine-2,4-dione
CID 10845622
5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
CID 712433
1-(3,4-dihydroxy-5,5-dimethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 20605137
5-fluoro-1-(2-oxocyclohexyl)pyrimidine-2,4-dione
CID 10846846
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
(5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
CID 70610848
4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 169190520
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163529144

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione (CID 52916693) is 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione is O=C1C=CCO[C@@H]1n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
The InChIKey is SEVHTONQYXGODI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1.
What are the key properties of 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione has a molecular weight of 226.16 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(6S)-5-oxo-2H-pyran-6-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 52916693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).