ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate

C8H9FN2O4 — CID 14118332

IUPACethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14)
InChIKeyPNCDWQUNEKFBDK-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.76
Rot. Bonds3

About ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate

ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate (PubChem CID 14118332) has the molecular formula C8H9FN2O4 and a molecular weight of 216.17 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
PubChem CID14118332
Molecular FormulaC8H9FN2O4
Molecular Weight216.17 g/mol
Exact Mass216.05
IUPAC Nameethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cn1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14)
InChIKeyPNCDWQUNEKFBDK-UHFFFAOYSA-N
XLogP-0.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
2-[(5-fluoro-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl Acetate
CID 4443484
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
Zinc02494940
CID 2058214
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
Ethyl 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetate
CID 745329
5-Fluorouracil-acetic acid
CID 12844136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate (CID 14118332) is ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate is CCOC(=O)Cn1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
The InChIKey is PNCDWQUNEKFBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4/c1-2-15-6(12)4-11-7(13)5(9)3-10-8(11)14/h3H,2,4H2,1H3,(H,10,14).
What are the key properties of ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate?
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate has a molecular weight of 216.17 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate is sourced from PubChem (CID 14118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).