ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

C9H11FN2O4 — CID 81297634

IUPACethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-3-16-8(14)6(10)12-4-5(2)7(13)11-9(12)15/h4,6H,3H2,1-2H3,(H,11,13,15)
InChIKeyOXBOBGONZNYKID-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 81297634) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID81297634
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Nameethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H11FN2O4/c1-3-16-8(14)6(10)12-4-5(2)7(13)11-9(12)15/h4,6H,3H2,1-2H3,(H,11,13,15)
InChIKeyOXBOBGONZNYKID-UHFFFAOYSA-N
XLogP-0.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
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
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CID 81297634) is ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is OXBOBGONZNYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-3-16-8(14)6(10)12-4-5(2)7(13)11-9(12)15/h4,6H,3H2,1-2H3,(H,11,13,15).
What are the key properties of ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 230.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81297634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).