1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione

C14H14N2O4 — CID 62023562

IUPAC1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1ccccc1OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-10(17)11-4-2-3-5-12(11)20-9-8-16-7-6-13(18)15-14(16)19/h2-7H,8-9H2,1H3,(H,15,18,19)
InChIKeyDEWWIJZVWLKNKJ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione

1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 62023562) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID62023562
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1ccccc1OCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-10(17)11-4-2-3-5-12(11)20-9-8-16-7-6-13(18)15-14(16)19/h2-7H,8-9H2,1H3,(H,15,18,19)
InChIKeyDEWWIJZVWLKNKJ-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

1-[2-(2-indol-1-ylethoxy)phenyl]ethanone
CID 62025183
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-[2-(2-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62025394
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-(2-methylindolizin-8-yl)oxyphenoxy]ethyl]pyrimidine-2,4-dione
CID 73291905
1-[2-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]ethyl]pyridin-2-one
CID 82897410
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-(1H-indol-4-yloxy)phenoxy]ethyl]pyrimidine-2,4-dione
CID 73294586
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione (CID 62023562) is 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione is CC(=O)c1ccccc1OCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is DEWWIJZVWLKNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10(17)11-4-2-3-5-12(11)20-9-8-16-7-6-13(18)15-14(16)19/h2-7H,8-9H2,1H3,(H,15,18,19).
What are the key properties of 1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(2-acetylphenoxy)ethyl]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-acetylphenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62023562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).