2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate

C10H10FN2O5- — CID 7131417

IUPAC2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
SMILESO=C([O-])Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O
InChIInChI=1S/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)/p-1/t7-/m0/s1
InChIKeyXPFDWZAZTFWOQS-ZETCQYMHSA-M
MW257.20 g/mol
LogP-1.79
Rot. Bonds3

About 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate

2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate (PubChem CID 7131417) has the molecular formula C10H10FN2O5- and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Name2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
PubChem CID7131417
Molecular FormulaC10H10FN2O5-
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
SMILESO=C([O-])Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O
InChIInChI=1S/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)/p-1/t7-/m0/s1
InChIKeyXPFDWZAZTFWOQS-ZETCQYMHSA-M
XLogP-1.79
TPSA93.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate?
The IUPAC name of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate (CID 7131417) is 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate.
What is the SMILES notation for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate?
The canonical SMILES for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate is O=C([O-])Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O.
What is the InChIKey of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate?
The InChIKey is XPFDWZAZTFWOQS-ZETCQYMHSA-M. The full InChI is InChI=1S/C10H11FN2O5/c11-6-4-12(7-2-1-3-18-7)10(17)13(9(6)16)5-8(14)15/h4,7H,1-3,5H2,(H,14,15)/p-1/t7-/m0/s1.
What are the key properties of 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate?
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate has a molecular weight of 257.20 g/mol, XLogP of -1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate is sourced from PubChem (CID 7131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).