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

C11H13FN2O4 — CID 172500685

IUPAC5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione
SMILESCC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O4/c1-7(15)5-14-10(16)8(12)6-13(11(14)17)9-3-2-4-18-9/h6,9H,2-5H2,1H3
InChIKeyNPZCXGNDPUJMMK-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.05
Rot. Bonds3

About 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione

5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione (PubChem CID 172500685) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione
PubChem CID172500685
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione
SMILESCC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O4/c1-7(15)5-14-10(16)8(12)6-13(11(14)17)9-3-2-4-18-9/h6,9H,2-5H2,1H3
InChIKeyNPZCXGNDPUJMMK-UHFFFAOYSA-N
XLogP0.05
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)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 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione (CID 172500685) is 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione is CC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione?
The InChIKey is NPZCXGNDPUJMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-7(15)5-14-10(16)8(12)6-13(11(14)17)9-3-2-4-18-9/h6,9H,2-5H2,1H3.
What are the key properties of 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione?
5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione has a molecular weight of 256.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 172500685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).