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

C13H17FN2O5 — CID 11666564

IUPAC[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate
SMILESCCCC(=O)OCn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C13H17FN2O5/c1-2-4-11(17)21-8-16-12(18)9(14)7-15(13(16)19)10-5-3-6-20-10/h7,10H,2-6,8H2,1H3
InChIKeyVQTJKRBLTHCKJZ-UHFFFAOYSA-N
MW300.29 g/mol
LogP0.76
Rot. Bonds5

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

[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate (PubChem CID 11666564) has the molecular formula C13H17FN2O5 and a molecular weight of 300.29 g/mol. Its IUPAC name is [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate.

Molecular Properties

Compound Name[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate
PubChem CID11666564
Molecular FormulaC13H17FN2O5
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate
SMILESCCCC(=O)OCn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C13H17FN2O5/c1-2-4-11(17)21-8-16-12(18)9(14)7-15(13(16)19)10-5-3-6-20-10/h7,10H,2-6,8H2,1H3
InChIKeyVQTJKRBLTHCKJZ-UHFFFAOYSA-N
XLogP0.76
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate?
The IUPAC name of [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate (CID 11666564) is [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate.
What is the SMILES notation for [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate?
The canonical SMILES for [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate is CCCC(=O)OCn1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate?
The InChIKey is VQTJKRBLTHCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O5/c1-2-4-11(17)21-8-16-12(18)9(14)7-15(13(16)19)10-5-3-6-20-10/h7,10H,2-6,8H2,1H3.
What are the key properties of [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate?
[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate has a molecular weight of 300.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate is sourced from PubChem (CID 11666564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).