5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C14H16N2O3 — CID 122367160

IUPAC5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-5-6-10(9(2)7-8)11-12(17)15(3)14(19)16(4)13(11)18/h5-7,11H,1-4H3
InChIKeyFDEAIOQCBSTDAO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.44
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 122367160) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID122367160
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C14H16N2O3/c1-8-5-6-10(9(2)7-8)11-12(17)15(3)14(19)16(4)13(11)18/h5-7,11H,1-4H3
InChIKeyFDEAIOQCBSTDAO-UHFFFAOYSA-N
XLogP1.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2,4-dimethylphenyl)azetidin-2-one
CID 82403930
1,3-dimethyl-5-(3-methylphenyl)imidazolidine-2,4-dione
CID 82114028
6-(2,4-dimethylphenyl)-1,3,5-triazinane-2,4-dione
CID 54018694
trans-(1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine
CID 93299529
3,4-bis(2,4-dimethylphenyl)-1,4-dihydropyrazol-5-one
CID 175325758
3-[4-(2,4-dimethylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982524
2-(2,4-dimethylphenyl)-5-ethyl-3-propylimidazolidin-4-one
CID 83242775
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83259966
3-(2,4-dimethylphenyl)-5,5-dipropylpyrrolidine-2,4-dione
CID 19975272
4-(2,4-dimethylphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116979999
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
1-[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 42781111

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 122367160) is 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is Cc1ccc(C2C(=O)N(C)C(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FDEAIOQCBSTDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-5-6-10(9(2)7-8)11-12(17)15(3)14(19)16(4)13(11)18/h5-7,11H,1-4H3.
What are the key properties of 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 122367160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).