methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate

C11H14N2O6 — CID 138968519

IUPACmethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cn1c(=O)cc(CC(=O)OC)[nH]c1=O
InChIInChI=1S/C11H14N2O6/c1-3-19-10(16)6-13-8(14)4-7(12-11(13)17)5-9(15)18-2/h4H,3,5-6H2,1-2H3,(H,12,17)
InChIKeyNDXTWEFGANMRCA-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.18
Rot. Bonds5

About methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate

methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate (PubChem CID 138968519) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
PubChem CID138968519
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Namemethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cn1c(=O)cc(CC(=O)OC)[nH]c1=O
InChIInChI=1S/C11H14N2O6/c1-3-19-10(16)6-13-8(14)4-7(12-11(13)17)5-9(15)18-2/h4H,3,5-6H2,1-2H3,(H,12,17)
InChIKeyNDXTWEFGANMRCA-UHFFFAOYSA-N
XLogP-1.18
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 2049745
Isopropyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-yl)acetate
CID 12129795
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
ethyl 2-(6-but-3-enyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968655
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
CID 22075431
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
ethyl 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 12328994
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
CID 43356391
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
CID 43422775
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
CID 43623290

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate?
The IUPAC name of methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate (CID 138968519) is methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate is CCOC(=O)Cn1c(=O)cc(CC(=O)OC)[nH]c1=O.
What is the InChIKey of methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate?
The InChIKey is NDXTWEFGANMRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-3-19-10(16)6-13-8(14)4-7(12-11(13)17)5-9(15)18-2/h4H,3,5-6H2,1-2H3,(H,12,17).
What are the key properties of methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate?
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate has a molecular weight of 270.24 g/mol, XLogP of -1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate is sourced from PubChem (CID 138968519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).