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

C14H13IN2O3 — CID 66328149

IUPAC5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2ccc(I)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H13IN2O3/c1-2-9-7-17(14(20)16-13(9)19)8-12(18)10-3-5-11(15)6-4-10/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyZTAASRWFMPMQEA-UHFFFAOYSA-N
MW384.17 g/mol
LogP1.59
Rot. Bonds4

About 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66328149) has the molecular formula C14H13IN2O3 and a molecular weight of 384.17 g/mol. Its IUPAC name is 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66328149
Molecular FormulaC14H13IN2O3
Molecular Weight384.17 g/mol
Exact Mass384.00
IUPAC Name5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2ccc(I)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H13IN2O3/c1-2-9-7-17(14(20)16-13(9)19)8-12(18)10-3-5-11(15)6-4-10/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyZTAASRWFMPMQEA-UHFFFAOYSA-N
XLogP1.59
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 51.59
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

Iqp-0528
CID 483499
5-Benzyluracil
CID 236212
SJ-3366
CID 474597
1-(Cyclopenten-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
CID 483495
5-Phenyluracil
CID 287110
N-[2-oxo-2-phenyl-1-(piperidin-1-yl)ethyl]acetamide
CID 3092544
1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
CID 474598
1-(Cyclopentyl)methyl-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 474603
1-(Cyclopentyl)methyl-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 474604
1-[2-(Cyclopent-1-en-1-yl)ethyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 474606
1-(2-Cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
CID 474607
1-[2-(Cyclopent-3-en-1-yl)ethyl]-5-isopropyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
CID 474608

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66328149) is 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCc1cn(CC(=O)c2ccc(I)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is ZTAASRWFMPMQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3/c1-2-9-7-17(14(20)16-13(9)19)8-12(18)10-3-5-11(15)6-4-10/h3-7H,2,8H2,1H3,(H,16,19,20).
What are the key properties of 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 384.17 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66328149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).