tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane

C13H22N2O4 — CID 144939598

IUPACtert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
SMILESCC.Cc1cn(CC(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4.C2H6/c1-7-5-13(10(16)12-9(7)15)6-8(14)17-11(2,3)4;1-2/h5H,6H2,1-4H3,(H,12,15,16);1-2H3
InChIKeyMOZSINRGKBMJHJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.21
Rot. Bonds2

About tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane

tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane (PubChem CID 144939598) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane.

Molecular Properties

Compound Nametert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
PubChem CID144939598
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
SMILESCC.Cc1cn(CC(=O)OC(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4.C2H6/c1-7-5-13(10(16)12-9(7)15)6-8(14)17-11(2,3)4;1-2/h5H,6H2,1-4H3,(H,12,15,16);1-2H3
InChIKeyMOZSINRGKBMJHJ-UHFFFAOYSA-N
XLogP1.21
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
tert-butyl 2-[benzyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]amino]acetate
CID 15817341
tert-butyl 2-[2-[(2-ethoxy-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]acetate
CID 140514369
tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
tert-butyl 4-hydroxy-4-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 155987130
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
(2S)-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
CID 67297359
N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
CID 102250967
2-[[2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 70284609
tert-butyl 2-(3-methyl-2-oxoimidazol-1-yl)acetate
CID 68705869

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane?
The IUPAC name of tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane (CID 144939598) is tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane.
What is the SMILES notation for tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane?
The canonical SMILES for tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane is CC.Cc1cn(CC(=O)OC(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane?
The InChIKey is MOZSINRGKBMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4.C2H6/c1-7-5-13(10(16)12-9(7)15)6-8(14)17-11(2,3)4;1-2/h5H,6H2,1-4H3,(H,12,15,16);1-2H3.
What are the key properties of tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane?
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane has a molecular weight of 270.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane is sourced from PubChem (CID 144939598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).