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

C8H9FN2O4 — CID 139593699

IUPAC5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1O
InChIInChI=1S/C8H9FN2O4/c9-5-4-10(6-2-1-3-15-6)8(13)11(14)7(5)12/h4,6,14H,1-3H2
InChIKeyZGZWCIIYXGPCLQ-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.30
Rot. Bonds1

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

5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 139593699) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID139593699
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1O
InChIInChI=1S/C8H9FN2O4/c9-5-4-10(6-2-1-3-15-6)8(13)11(14)7(5)12/h4,6,14H,1-3H2
InChIKeyZGZWCIIYXGPCLQ-UHFFFAOYSA-N
XLogP-0.30
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 139593699) is 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1O.
What is the InChIKey of 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is ZGZWCIIYXGPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c9-5-4-10(6-2-1-3-15-6)8(13)11(14)7(5)12/h4,6,14H,1-3H2.
What are the key properties of 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 216.17 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 139593699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).