ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate

C11H16N2O4 — CID 2748610

IUPACethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-4-17-9(14)6-5-8-7-12(2)11(16)13(3)10(8)15/h7H,4-6H2,1-3H3
InChIKeyXPFAJYAJSOOLAY-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.42
Rot. Bonds4

About ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate

ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate (PubChem CID 2748610) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
PubChem CID2748610
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-4-17-9(14)6-5-8-7-12(2)11(16)13(3)10(8)15/h7H,4-6H2,1-3H3
InChIKeyXPFAJYAJSOOLAY-UHFFFAOYSA-N
XLogP-0.42
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate (CID 2748610) is ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate is CCOC(=O)CCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
The InChIKey is XPFAJYAJSOOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-17-9(14)6-5-8-7-12(2)11(16)13(3)10(8)15/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate?
ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate has a molecular weight of 240.26 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)propanoate is sourced from PubChem (CID 2748610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).