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

C11H16N2O5 — CID 11543404

IUPACmethyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(CC(=O)OC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-4-18-8(5-9(14)17-3)13-6-7(2)10(15)12-11(13)16/h6,8H,4-5H2,1-3H3,(H,12,15,16)
InChIKeyNMKHHRHMMCQBJZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.06
Rot. Bonds5

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

methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (PubChem CID 11543404) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
PubChem CID11543404
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Namemethyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
SMILESCCOC(CC(=O)OC)n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-4-18-8(5-9(14)17-3)13-6-7(2)10(15)12-11(13)16/h6,8H,4-5H2,1-3H3,(H,12,15,16)
InChIKeyNMKHHRHMMCQBJZ-UHFFFAOYSA-N
XLogP-0.06
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
CID 755455
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
Acyclo-thymidine
CID 451449
Ethyl 3-ethoxy-3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543635
Propyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11543758
Isobutyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11587466
Ethyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxy-propanoate
CID 11594062
Isobutyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxy-propanoate
CID 11616178
Methyl 3-(2,4-dioxopyrimidin-1-yl)-3-ethoxy-propanoate
CID 11644402
Butyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate
CID 11652319
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 253770
Ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11775861

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate (CID 11543404) is methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is CCOC(CC(=O)OC)n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
The InChIKey is NMKHHRHMMCQBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-4-18-8(5-9(14)17-3)13-6-7(2)10(15)12-11(13)16/h6,8H,4-5H2,1-3H3,(H,12,15,16).
What are the key properties of methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate?
methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate has a molecular weight of 256.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 11543404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).