methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate

C10H11FN2O6 — CID 13144373

IUPACmethyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(F)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C10H11FN2O6/c1-18-7(14)4-12-3-6(11)9(16)13(10(12)17)5-8(15)19-2/h3H,4-5H2,1-2H3
InChIKeyWFPBAJUAUZDXOU-UHFFFAOYSA-N
MW274.20 g/mol
LogP-1.50
Rot. Bonds4

About methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate

methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate (PubChem CID 13144373) has the molecular formula C10H11FN2O6 and a molecular weight of 274.20 g/mol. Its IUPAC name is methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate
PubChem CID13144373
Molecular FormulaC10H11FN2O6
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Namemethyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate
SMILESCOC(=O)Cn1cc(F)c(=O)n(CC(=O)OC)c1=O
InChIInChI=1S/C10H11FN2O6/c1-18-7(14)4-12-3-6(11)9(16)13(10(12)17)5-8(15)19-2/h3H,4-5H2,1-2H3
InChIKeyWFPBAJUAUZDXOU-UHFFFAOYSA-N
XLogP-1.50
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate with MolForge

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Related Compounds

Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
Ethyl 3-acetyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylate
CID 12690848
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
Methyl 2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 101652514
3-Methoxycarbonylmethyl-1-(tetrahydro-2-furanyl)-5-fluorouracil
CID 13061628
3-Methoxycarbonylmethyl-5-fluorouracil
CID 13061640
Ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 10039725
1,3-Bis(acetoxymethyl)-5-fluorouracil
CID 13014273
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate (CID 13144373) is methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate is COC(=O)Cn1cc(F)c(=O)n(CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate?
The InChIKey is WFPBAJUAUZDXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O6/c1-18-7(14)4-12-3-6(11)9(16)13(10(12)17)5-8(15)19-2/h3H,4-5H2,1-2H3.
What are the key properties of methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate?
methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate has a molecular weight of 274.20 g/mol, XLogP of -1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-fluoro-3-(2-methoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]acetate is sourced from PubChem (CID 13144373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).