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

C11H13FN2O5 — CID 13061628

IUPACmethyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O5/c1-18-9(15)6-14-10(16)7(12)5-13(11(14)17)8-3-2-4-19-8/h5,8H,2-4,6H2,1H3
InChIKeyNXVWCKFQVSEOHE-UHFFFAOYSA-N
MW272.23 g/mol
LogP-0.37
Rot. Bonds3

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

methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate (PubChem CID 13061628) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate
PubChem CID13061628
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O
InChIInChI=1S/C11H13FN2O5/c1-18-9(15)6-14-10(16)7(12)5-13(11(14)17)8-3-2-4-19-8/h5,8H,2-4,6H2,1H3
InChIKeyNXVWCKFQVSEOHE-UHFFFAOYSA-N
XLogP-0.37
TPSA79.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-Fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl butanoate
CID 11666564
2-[5-Fluoro-2,6-dioxo-3-(oxolan-2-yl)-1,2,3,6-tetrahydropyrimidin-1-yl]acetic acid
CID 16226806
5-fluoro-3-(2-hydroxyethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 44431438
3-Methyl-1-(tetrahydro-2-furanyl)-5-fluorouracil
CID 13061626
1-Methyl-3-(tetrahydro-2-furanyl)-5-fluorouracil
CID 101320203
[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
CID 12534499
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658
5-Fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149455
Ethyl 5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carboxylate
CID 154136506
5-Fluoro-1-(oxolan-2-yl)-3-propylpyrimidine-2,4-dione
CID 164060078
5-Fluoro-1-(oxolan-2-yl)-3-(2-oxopropyl)pyrimidine-2,4-dione
CID 172500685
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate (CID 13061628) is methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate is COC(=O)Cn1c(=O)c(F)cn(C2CCCO2)c1=O.
What is the InChIKey of methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate?
The InChIKey is NXVWCKFQVSEOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5/c1-18-9(15)6-14-10(16)7(12)5-13(11(14)17)8-3-2-4-19-8/h5,8H,2-4,6H2,1H3.
What are the key properties of methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate?
methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate has a molecular weight of 272.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetate is sourced from PubChem (CID 13061628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).