ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

C11H14FN3O5 — CID 13255658

IUPACethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(N(C)C(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O5/c1-4-20-10(18)9(14(3)6(2)16)15-5-7(12)8(17)13-11(15)19/h5,9H,4H2,1-3H3,(H,13,17,19)
InChIKeyRMHWLOINWVZMMB-UHFFFAOYSA-N
MW287.25 g/mol
LogP-0.78
Rot. Bonds4

About ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 13255658) has the molecular formula C11H14FN3O5 and a molecular weight of 287.25 g/mol. Its IUPAC name is ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID13255658
Molecular FormulaC11H14FN3O5
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Nameethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(N(C)C(C)=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H14FN3O5/c1-4-20-10(18)9(14(3)6(2)16)15-5-7(12)8(17)13-11(15)19/h5,9H,4H2,1-3H3,(H,13,17,19)
InChIKeyRMHWLOINWVZMMB-UHFFFAOYSA-N
XLogP-0.78
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
1-[(2'-Acetoxyethoxy)methyl]-5-fluorouracil
CID 4443484
ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
Glycine, N-((1,1-dimethylethoxy)carbonyl)-, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
CID 3073493
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, hexyl ester
CID 3075296
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Zinc02494940
CID 2058214
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 13255658) is ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(N(C)C(C)=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is RMHWLOINWVZMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5/c1-4-20-10(18)9(14(3)6(2)16)15-5-7(12)8(17)13-11(15)19/h5,9H,4H2,1-3H3,(H,13,17,19).
What are the key properties of ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 287.25 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 13255658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).