ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate

C11H16N2O4 — CID 15673459

IUPACethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-5-17-9(14)6-8-7(2)12(3)11(16)13(4)10(8)15/h5-6H2,1-4H3
InChIKeyFRELBFWSRGFEJP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.50
Rot. Bonds3

About ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate

ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate (PubChem CID 15673459) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate
PubChem CID15673459
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-5-17-9(14)6-8-7(2)12(3)11(16)13(4)10(8)15/h5-6H2,1-4H3
InChIKeyFRELBFWSRGFEJP-UHFFFAOYSA-N
XLogP-0.50
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate
CID 12739187
Ethyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 740354
Butyl 2-(6-methyl-2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetate
CID 1952115
2-Methylpropyl 2-(6-methyl-2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetate
CID 805727
2-(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
CID 14644804
Methyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 50888656
2-(2-Acetamido-3,6-dimethyl-4-oxo-1,2-dihydropyrimidin-5-yl)ethyl acetate
CID 142628379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate (CID 15673459) is ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate is CCOC(=O)Cc1c(C)n(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate?
The InChIKey is FRELBFWSRGFEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-5-17-9(14)6-8-7(2)12(3)11(16)13(4)10(8)15/h5-6H2,1-4H3.
What are the key properties of ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate?
ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate has a molecular weight of 240.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetate is sourced from PubChem (CID 15673459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).