1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione

C16H18N2O3 — CID 66330312

IUPAC1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2cc(C)ccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-4-12-8-18(16(21)17-15(12)20)9-14(19)13-7-10(2)5-6-11(13)3/h5-8H,4,9H2,1-3H3,(H,17,20,21)
InChIKeyUZXUGKDVOREJHM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds4

About 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione

1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 66330312) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
PubChem CID66330312
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(CC(=O)c2cc(C)ccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-4-12-8-18(16(21)17-15(12)20)9-14(19)13-7-10(2)5-6-11(13)3/h5-8H,4,9H2,1-3H3,(H,17,20,21)
InChIKeyUZXUGKDVOREJHM-UHFFFAOYSA-N
XLogP1.60
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330314
5-ethyl-1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66328149
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226450
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
CID 79395673
5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione
CID 66329519
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
4-[2-(2,5-dimethylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66085532
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936135
1-[2-(2-methylphenyl)-2-oxoethyl]-5-nitropyrimidine-2,4-dione
CID 63801169
5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66424169

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione (CID 66330312) is 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(CC(=O)c2cc(C)ccc2C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is UZXUGKDVOREJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-12-8-18(16(21)17-15(12)20)9-14(19)13-7-10(2)5-6-11(13)3/h5-8H,4,9H2,1-3H3,(H,17,20,21).
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione?
1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 66330312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).