1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C14H14N2O4 — CID 62024838

IUPAC1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-2-20-11-5-3-10(4-6-11)12(17)9-16-8-7-13(18)15-14(16)19/h3-8H,2,9H2,1H3,(H,15,18,19)
InChIKeyGHOMSVCUKRKRKV-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62024838) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62024838
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H14N2O4/c1-2-20-11-5-3-10(4-6-11)12(17)9-16-8-7-13(18)15-14(16)19/h3-8H,2,9H2,1H3,(H,15,18,19)
InChIKeyGHOMSVCUKRKRKV-UHFFFAOYSA-N
XLogP0.82
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66425954
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1,3-thiazol-2-one
CID 63312406
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
1-(4-ethoxyphenyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]pyrazine-2,3-dione
CID 30565230
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024301
5-bromo-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 66308125
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312478
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62024838) is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCOc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is GHOMSVCUKRKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-20-11-5-3-10(4-6-11)12(17)9-16-8-7-13(18)15-14(16)19/h3-8H,2,9H2,1H3,(H,15,18,19).
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62024838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).