3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

C8H9FN2O3 — CID 54351125

IUPAC3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCO2)c(=O)n1F
InChIInChI=1S/C8H9FN2O3/c9-11-6(12)3-4-10(8(11)13)7-2-1-5-14-7/h3-4,7H,1-2,5H2
InChIKeyUFVNVXYISZMLRL-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.05
Rot. Bonds1

About 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione

3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 54351125) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID54351125
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(C2CCCO2)c(=O)n1F
InChIInChI=1S/C8H9FN2O3/c9-11-6(12)3-4-10(8(11)13)7-2-1-5-14-7/h3-4,7H,1-2,5H2
InChIKeyUFVNVXYISZMLRL-UHFFFAOYSA-N
XLogP0.05
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-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-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 54351125) is 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1ccn(C2CCCO2)c(=O)n1F.
What is the InChIKey of 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is UFVNVXYISZMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-11-6(12)3-4-10(8(11)13)7-2-1-5-14-7/h3-4,7H,1-2,5H2.
What are the key properties of 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 200.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 54351125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).