5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione

C8H5FN2O3 — CID 66697579

IUPAC5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1-c1ccoc1
InChIInChI=1S/C8H5FN2O3/c9-6-3-10-8(13)11(7(6)12)5-1-2-14-4-5/h1-4H,(H,10,13)
InChIKeyCDPRZTYRPXNNLO-UHFFFAOYSA-N
MW196.14 g/mol
LogP0.26
Rot. Bonds1

About 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 66697579) has the molecular formula C8H5FN2O3 and a molecular weight of 196.14 g/mol. Its IUPAC name is 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID66697579
Molecular FormulaC8H5FN2O3
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1-c1ccoc1
InChIInChI=1S/C8H5FN2O3/c9-6-3-10-8(13)11(7(6)12)5-1-2-14-4-5/h1-4H,(H,10,13)
InChIKeyCDPRZTYRPXNNLO-UHFFFAOYSA-N
XLogP0.26
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione (CID 66697579) is 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1-c1ccoc1.
What is the InChIKey of 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is CDPRZTYRPXNNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O3/c9-6-3-10-8(13)11(7(6)12)5-1-2-14-4-5/h1-4H,(H,10,13).
What are the key properties of 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.14 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66697579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).