3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione

C9H8FN3O3 — CID 155219511

IUPAC3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc(F)cc2=O)C(=O)N1
InChIInChI=1S/C9H8FN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16)
InChIKeyJXXZBNIYYBYSQZ-UHFFFAOYSA-N
MW225.18 g/mol
LogP-0.64
Rot. Bonds1

About 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione

3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 155219511) has the molecular formula C9H8FN3O3 and a molecular weight of 225.18 g/mol. Its IUPAC name is 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID155219511
Molecular FormulaC9H8FN3O3
Molecular Weight225.18 g/mol
Exact Mass225.05
IUPAC Name3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc(F)cc2=O)C(=O)N1
InChIInChI=1S/C9H8FN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16)
InChIKeyJXXZBNIYYBYSQZ-UHFFFAOYSA-N
XLogP-0.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 155219511) is 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione is O=C1CCC(n2cnc(F)cc2=O)C(=O)N1.
What is the InChIKey of 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is JXXZBNIYYBYSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16).
What are the key properties of 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 225.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 155219511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).