propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

C13H20N2O5 — CID 11543758

IUPACpropyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5/c1-4-6-20-11(16)7-10(19-5-2)15-8-9(3)12(17)14-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,17,18)
InChIKeyDYAXNGYANXRCEE-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.72
Rot. Bonds7

About propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 11543758) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namepropyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID11543758
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namepropyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5/c1-4-6-20-11(16)7-10(19-5-2)15-8-9(3)12(17)14-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,17,18)
InChIKeyDYAXNGYANXRCEE-UHFFFAOYSA-N
XLogP0.72
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (CID 11543758) is propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is CCCOC(=O)CC(OCC)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is DYAXNGYANXRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-4-6-20-11(16)7-10(19-5-2)15-8-9(3)12(17)14-13(15)18/h8,10H,4-7H2,1-3H3,(H,14,17,18).
What are the key properties of propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 284.31 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 11543758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).