1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 79776984

IUPAC1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1cccc(N2CC(C)C(=O)NC2=O)c1C
InChIInChI=1S/C13H16N2O2/c1-8-5-4-6-11(10(8)3)15-7-9(2)12(16)14-13(15)17/h4-6,9H,7H2,1-3H3,(H,14,16,17)
InChIKeyBOMRPLBRWSEPBH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione

1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79776984) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79776984
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCc1cccc(N2CC(C)C(=O)NC2=O)c1C
InChIInChI=1S/C13H16N2O2/c1-8-5-4-6-11(10(8)3)15-7-9(2)12(16)14-13(15)17/h4-6,9H,7H2,1-3H3,(H,14,16,17)
InChIKeyBOMRPLBRWSEPBH-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777386
5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione
CID 13086234
1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777988
1-(4-fluoro-2-iodophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776948
4-(2,3-dimethylphenyl)piperazine-2,6-dione
CID 63787849
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
6-(2,3-dimethylphenyl)-4-methyl-4a,7,8,9a-tetrahydropurino[7,8-a]imidazole-1,3-dione
CID 73276828
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
3-(2,3-dimethylphenyl)imidazolidine-2,4-dione
CID 103935480
[1-(2,3-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681682
(5S)-1-(2-methoxyphenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 850225
3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione
CID 64958590

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79776984) is 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione is Cc1cccc(N2CC(C)C(=O)NC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is BOMRPLBRWSEPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-4-6-11(10(8)3)15-7-9(2)12(16)14-13(15)17/h4-6,9H,7H2,1-3H3,(H,14,16,17).
What are the key properties of 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79776984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).