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

C15H16N2O3 — CID 66330314

IUPAC5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-3-11-8-17(15(20)16-14(11)19)9-13(18)12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3,(H,16,19,20)
InChIKeyGZAVOXQNWDJZSW-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds4

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

5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66330314) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66330314
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2ccccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-3-11-8-17(15(20)16-14(11)19)9-13(18)12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3,(H,16,19,20)
InChIKeyGZAVOXQNWDJZSW-UHFFFAOYSA-N
XLogP1.29
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-{[3-Butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
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1-(Cyclopenten-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
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1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
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1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-isopropyl-pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66330314) is 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCc1cn(CC(=O)c2ccccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is GZAVOXQNWDJZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-11-8-17(15(20)16-14(11)19)9-13(18)12-7-5-4-6-10(12)2/h4-8H,3,9H2,1-2H3,(H,16,19,20).
What are the key properties of 5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 1.29, 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-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).