ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate

C11H15FN2O4 — CID 81296789

IUPACethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate
SMILESCCCn1ccc(=O)n(C(F)C(=O)OCC)c1=O
InChIInChI=1S/C11H15FN2O4/c1-3-6-13-7-5-8(15)14(11(13)17)9(12)10(16)18-4-2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyCGKGDKMFIDNBLZ-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.45
Rot. Bonds5

About ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate

ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate (PubChem CID 81296789) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate
PubChem CID81296789
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Nameethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate
SMILESCCCn1ccc(=O)n(C(F)C(=O)OCC)c1=O
InChIInChI=1S/C11H15FN2O4/c1-3-6-13-7-5-8(15)14(11(13)17)9(12)10(16)18-4-2/h5,7,9H,3-4,6H2,1-2H3
InChIKeyCGKGDKMFIDNBLZ-UHFFFAOYSA-N
XLogP0.45
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Zinc02494940
CID 2058214
3-Methoxycarbonylmethyl-1-(tetrahydro-2-furanyl)-5-fluorouracil
CID 13061628
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658
Ethyl 2-acetamido-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 70600246
2-Methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 121459595
Methyl 2-(2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
CID 174382861
ethyl (6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 746589
Ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetate
CID 293824
Ethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 293827
1(2H)-Pyrimidineacetic acid, 3-(3-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)propyl)-3,4-dihydro-2,4-dioxo-, methyl ester
CID 145626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate (CID 81296789) is ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate is CCCn1ccc(=O)n(C(F)C(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate?
The InChIKey is CGKGDKMFIDNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-3-6-13-7-5-8(15)14(11(13)17)9(12)10(16)18-4-2/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate?
ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate has a molecular weight of 258.25 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81296789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).