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

C14H14N2O4 — CID 62025394

IUPAC1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-2-20-12-6-4-3-5-10(12)11(17)9-16-8-7-13(18)15-14(16)19/h3-8H,2,9H2,1H3,(H,15,18,19)
InChIKeyWFQYRRCOCRBZNY-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.82
Rot. Bonds5

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

1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62025394) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62025394
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccccc1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-2-20-12-6-4-3-5-10(12)11(17)9-16-8-7-13(18)15-14(16)19/h3-8H,2,9H2,1H3,(H,15,18,19)
InChIKeyWFQYRRCOCRBZNY-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-bromo-1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63779260
1-[2-(2-ethoxyphenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80580045
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632745
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
5-ethyl-1-[2-(2-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330111
3-[2-(2-ethoxyphenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 62016925
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62025394) is 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCOc1ccccc1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is WFQYRRCOCRBZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-20-12-6-4-3-5-10(12)11(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-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(2-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-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).