5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione

C8H8FN3O3 — CID 70594037

IUPAC5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione
SMILESO=C1CCC(n2cc(F)c(=O)[nH]c2=O)N1
InChIInChI=1S/C8H8FN3O3/c9-4-3-12(8(15)11-7(4)14)5-1-2-6(13)10-5/h3,5H,1-2H2,(H,10,13)(H,11,14,15)
InChIKeyXOKBQHGLESQVDZ-UHFFFAOYSA-N
MW213.17 g/mol
LogP-0.92
Rot. Bonds1

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

5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione (PubChem CID 70594037) has the molecular formula C8H8FN3O3 and a molecular weight of 213.17 g/mol. Its IUPAC name is 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione
PubChem CID70594037
Molecular FormulaC8H8FN3O3
Molecular Weight213.17 g/mol
Exact Mass213.05
IUPAC Name5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione
SMILESO=C1CCC(n2cc(F)c(=O)[nH]c2=O)N1
InChIInChI=1S/C8H8FN3O3/c9-4-3-12(8(15)11-7(4)14)5-1-2-6(13)10-5/h3,5H,1-2H2,(H,10,13)(H,11,14,15)
InChIKeyXOKBQHGLESQVDZ-UHFFFAOYSA-N
XLogP-0.92
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione (CID 70594037) is 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione is O=C1CCC(n2cc(F)c(=O)[nH]c2=O)N1.
What is the InChIKey of 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione?
The InChIKey is XOKBQHGLESQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O3/c9-4-3-12(8(15)11-7(4)14)5-1-2-6(13)10-5/h3,5H,1-2H2,(H,10,13)(H,11,14,15).
What are the key properties of 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione?
5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione has a molecular weight of 213.17 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(5-oxopyrrolidin-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 70594037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).