5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

C8H9FN2O4 — CID 12534502

IUPAC5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2OCC[C@H]2O)cc1F
InChIInChI=1S/C8H9FN2O4/c9-4-3-11(8(14)10-6(4)13)7-5(12)1-2-15-7/h3,5,7,12H,1-2H2,(H,10,13,14)/t5-,7-/m1/s1
InChIKeyLSPXWMNNFIJOEM-IYSWYEEDSA-N
MW216.17 g/mol
LogP-1.04
Rot. Bonds1

About 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 12534502) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID12534502
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Name5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@@H]2OCC[C@H]2O)cc1F
InChIInChI=1S/C8H9FN2O4/c9-4-3-11(8(14)10-6(4)13)7-5(12)1-2-15-7/h3,5,7,12H,1-2H2,(H,10,13,14)/t5-,7-/m1/s1
InChIKeyLSPXWMNNFIJOEM-IYSWYEEDSA-N
XLogP-1.04
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (CID 12534502) is 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@@H]2OCC[C@H]2O)cc1F.
What is the InChIKey of 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is LSPXWMNNFIJOEM-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H9FN2O4/c9-4-3-11(8(14)10-6(4)13)7-5(12)1-2-15-7/h3,5,7,12H,1-2H2,(H,10,13,14)/t5-,7-/m1/s1.
What are the key properties of 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 216.17 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,3R)-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 12534502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).