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

C12H9IN2O3 — CID 62023373

IUPAC1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1ccc(I)cc1
InChIInChI=1S/C12H9IN2O3/c13-9-3-1-8(2-4-9)10(16)7-15-6-5-11(17)14-12(15)18/h1-6H,7H2,(H,14,17,18)
InChIKeyZIYUYVIZKPGYHE-UHFFFAOYSA-N
MW356.12 g/mol
LogP1.02
Rot. Bonds3

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

1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62023373) has the molecular formula C12H9IN2O3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62023373
Molecular FormulaC12H9IN2O3
Molecular Weight356.12 g/mol
Exact Mass355.97
IUPAC Name1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)c1ccc(I)cc1
InChIInChI=1S/C12H9IN2O3/c13-9-3-1-8(2-4-9)10(16)7-15-6-5-11(17)14-12(15)18/h1-6H,7H2,(H,14,17,18)
InChIKeyZIYUYVIZKPGYHE-UHFFFAOYSA-N
XLogP1.02
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838
5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66328149
1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024301
1-[2-(4-iodophenyl)-2-oxoethyl]-4-methylpyrimidin-2-one
CID 114217413
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
1-[2-(4-iodophenyl)-2-oxoethyl]-5-nitropyrimidine-2,4-dione
CID 63800122
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-[2-(4-iodophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 55156628
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030
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-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62023373) is 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)c1ccc(I)cc1.
What is the InChIKey of 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is ZIYUYVIZKPGYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IN2O3/c13-9-3-1-8(2-4-9)10(16)7-15-6-5-11(17)14-12(15)18/h1-6H,7H2,(H,14,17,18).
What are the key properties of 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 356.12 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62023373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).