5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione

C8H9FN2O3 — CID 69085682

IUPAC5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCCO2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H9FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyTYWVHIPSNSXVJG-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.05
Rot. Bonds1

About 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione

5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 69085682) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID69085682
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCCO2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H9FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyTYWVHIPSNSXVJG-UHFFFAOYSA-N
XLogP0.05
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione (CID 69085682) is 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCCO2)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is TYWVHIPSNSXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h4H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 200.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(oxolan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69085682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).