ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate

C9H11FN2O4 — CID 81296389

IUPACethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H11FN2O4/c1-3-16-8(14)7(10)12-6(13)4-5-11(2)9(12)15/h4-5,7H,3H2,1-2H3
InChIKeyBUOZWBDVPNPYNQ-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.42
Rot. Bonds3

About ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate

ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate (PubChem CID 81296389) has the molecular formula C9H11FN2O4 and a molecular weight of 230.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate
PubChem CID81296389
Molecular FormulaC9H11FN2O4
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Nameethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(=O)ccn(C)c1=O
InChIInChI=1S/C9H11FN2O4/c1-3-16-8(14)7(10)12-6(13)4-5-11(2)9(12)15/h4-5,7H,3H2,1-2H3
InChIKeyBUOZWBDVPNPYNQ-UHFFFAOYSA-N
XLogP-0.42
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.42
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
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Zinc02494940
CID 2058214
Methyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 15128034
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
1,3-Bis-(2-methoxyethyl)uracil
CID 86291685
Ethyl 2-[3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidin-1-yl]acetate
CID 386536
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
Prop-2-enyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 67126682
prop-2-enyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 67126684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate (CID 81296389) is ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(F)n1c(=O)ccn(C)c1=O.
What is the InChIKey of ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
The InChIKey is BUOZWBDVPNPYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4/c1-3-16-8(14)7(10)12-6(13)4-5-11(2)9(12)15/h4-5,7H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate?
ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate has a molecular weight of 230.19 g/mol, XLogP of -0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-methyl-2,6-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 81296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).