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

C11H16N2O4 — CID 10586111

IUPACethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-3-17-9(14)5-4-6-13-7-8(2)10(15)12-11(13)16/h7H,3-6H2,1-2H3,(H,12,15,16)
InChIKeyGQNKRJUUFPLVLK-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.19
Rot. Bonds5

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

ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate (PubChem CID 10586111) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
PubChem CID10586111
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
SMILESCCOC(=O)CCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-3-17-9(14)5-4-6-13-7-8(2)10(15)12-11(13)16/h7H,3-6H2,1-2H3,(H,12,15,16)
InChIKeyGQNKRJUUFPLVLK-UHFFFAOYSA-N
XLogP0.19
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The IUPAC name of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate (CID 10586111) is ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The canonical SMILES for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate is CCOC(=O)CCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
The InChIKey is GQNKRJUUFPLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-17-9(14)5-4-6-13-7-8(2)10(15)12-11(13)16/h7H,3-6H2,1-2H3,(H,12,15,16).
What are the key properties of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate?
ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate has a molecular weight of 240.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate is sourced from PubChem (CID 10586111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).