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

C10H11FN2O6 — CID 13014273

IUPAC[3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate
SMILESCC(=O)OCn1cc(F)c(=O)n(COC(C)=O)c1=O
InChIInChI=1S/C10H11FN2O6/c1-6(14)18-4-12-3-8(11)9(16)13(10(12)17)5-19-7(2)15/h3H,4-5H2,1-2H3
InChIKeyCCBUAQOJPDCNAJ-UHFFFAOYSA-N
MW274.20 g/mol
LogP-0.81
Rot. Bonds4

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

[3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate (PubChem CID 13014273) has the molecular formula C10H11FN2O6 and a molecular weight of 274.20 g/mol. Its IUPAC name is [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate.

Molecular Properties

Compound Name[3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate
PubChem CID13014273
Molecular FormulaC10H11FN2O6
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name[3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate
SMILESCC(=O)OCn1cc(F)c(=O)n(COC(C)=O)c1=O
InChIInChI=1S/C10H11FN2O6/c1-6(14)18-4-12-3-8(11)9(16)13(10(12)17)5-19-7(2)15/h3H,4-5H2,1-2H3
InChIKeyCCBUAQOJPDCNAJ-UHFFFAOYSA-N
XLogP-0.81
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 ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Stk771272
CID 4015329
2-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl Acetate
CID 4443484
1,3-Diacetyl-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 10262657
Ethyl 3-acetyl-5-fluoro-2,4-dioxopyrimidine-1-carboxylate
CID 12690848
1-(Ethoxycarbonyloxymethyl)-5-fluorouracil
CID 129216
Ethyl 5-fluoro-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxylate
CID 10420370
1-Isobutoxycarbonyl-5-fluorouracil
CID 13061636
Ethyl 5-fluoro-2,4-dioxo-3-propanoylpyrimidine-1-carboxylate
CID 12690849
1-(t-Butoxycarbonyl)-5-fluorouracil
CID 11128104
Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
CID 94621
5-Fluoro-1-(butoxycarbonyl)uracil
CID 94691
1-Methoxycarbonyl-5-fluorouracil
CID 13629533

Frequently Asked Questions

What is the IUPAC name of [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate?
The IUPAC name of [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate (CID 13014273) is [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate.
What is the SMILES notation for [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate?
The canonical SMILES for [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate is CC(=O)OCn1cc(F)c(=O)n(COC(C)=O)c1=O.
What is the InChIKey of [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate?
The InChIKey is CCBUAQOJPDCNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O6/c1-6(14)18-4-12-3-8(11)9(16)13(10(12)17)5-19-7(2)15/h3H,4-5H2,1-2H3.
What are the key properties of [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate?
[3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate has a molecular weight of 274.20 g/mol, XLogP of -0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(acetyloxymethyl)-5-fluoro-2,4-dioxopyrimidin-1-yl]methyl acetate is sourced from PubChem (CID 13014273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).