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

C8H5FN2O3 — CID 151370749

IUPAC5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H5FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChIKeyOQJRPEXOGSHNJY-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.46
Rot. Bonds1

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

5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 151370749) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID151370749
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(-c2ccco2)c(F)c(=O)[nH]1
InChIInChI=1S/C8H5FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChIKeyOQJRPEXOGSHNJY-UHFFFAOYSA-N
XLogP0.46
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione (CID 151370749) is 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-(furan-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-(furan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OQJRPEXOGSHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/c9-5-6(4-2-1-3-14-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13).
What are the key properties of 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione?
5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.14 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(furan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 151370749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).