1-(2-methylphenyl)-1,3-diazinane-2,4-dione

C11H12N2O2 — CID 44509194

IUPAC1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)NC1=O
InChIInChI=1S/C11H12N2O2/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeySVNZIAGWQZKSII-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.44
Rot. Bonds1

About 1-(2-methylphenyl)-1,3-diazinane-2,4-dione

1-(2-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 44509194) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID44509194
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)NC1=O
InChIInChI=1S/C11H12N2O2/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15)
InChIKeySVNZIAGWQZKSII-UHFFFAOYSA-N
XLogP1.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-Dihydro-2-methyl-4(1H)-quinazolinone
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1-Benzyl-1-methyl-3-phenylurea
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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-
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1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
3-(1-Benzylpiperidin-4-yl)-1-phenylurea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methylphenyl)-1,3-diazinane-2,4-dione (CID 44509194) is 1-(2-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methylphenyl)-1,3-diazinane-2,4-dione is Cc1ccccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is SVNZIAGWQZKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15/h2-5H,6-7H2,1H3,(H,12,14,15).
What are the key properties of 1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
1-(2-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 44509194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).