1,6-dimethyl-5H-1,3-diazepine-2,4-dione

C7H10N2O2 — CID 123185562

IUPAC1,6-dimethyl-5H-1,3-diazepine-2,4-dione
SMILESCC1=CN(C)C(=O)NC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-5-3-6(10)8-7(11)9(2)4-5/h4H,3H2,1-2H3,(H,8,10,11)
InChIKeySEIKCMGPFNZRFP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.46
Rot. Bonds

About 1,6-dimethyl-5H-1,3-diazepine-2,4-dione

1,6-dimethyl-5H-1,3-diazepine-2,4-dione (PubChem CID 123185562) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,6-dimethyl-5H-1,3-diazepine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-5H-1,3-diazepine-2,4-dione
PubChem CID123185562
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,6-dimethyl-5H-1,3-diazepine-2,4-dione
SMILESCC1=CN(C)C(=O)NC(=O)C1
InChIInChI=1S/C7H10N2O2/c1-5-3-6(10)8-7(11)9(2)4-5/h4H,3H2,1-2H3,(H,8,10,11)
InChIKeySEIKCMGPFNZRFP-UHFFFAOYSA-N
XLogP0.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139660900
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CID 20617139
5-Ethyl-1-methylpyrimidine-2,4-dione
CID 20700895
5-[2-(methylamino)ethyl]-1H-pyrimidine-2,4-dione
CID 70036565
5-Ethyl-3-methyluracil
CID 89096119
1-Acetyl-5-ethylpyrimidine-2,4-dione
CID 129940090
6-Methyl-1,5-dihydro-1,3-diazepine-2,4-dione
CID 142113909
1-methyl-5H-1,3-diazepine-2,4-dione
CID 142986083
3-butanoyl-5-ethyl-1H-imidazol-2-one
CID 154446076
Ethane;5-ethyl-1-methylpyrimidine-2,4-dione
CID 166074959
N-[methyl(2-methylprop-1-enyl)carbamoyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5H-1,3-diazepine-2,4-dione?
The IUPAC name of 1,6-dimethyl-5H-1,3-diazepine-2,4-dione (CID 123185562) is 1,6-dimethyl-5H-1,3-diazepine-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-5H-1,3-diazepine-2,4-dione?
The canonical SMILES for 1,6-dimethyl-5H-1,3-diazepine-2,4-dione is CC1=CN(C)C(=O)NC(=O)C1.
What is the InChIKey of 1,6-dimethyl-5H-1,3-diazepine-2,4-dione?
The InChIKey is SEIKCMGPFNZRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-3-6(10)8-7(11)9(2)4-5/h4H,3H2,1-2H3,(H,8,10,11).
What are the key properties of 1,6-dimethyl-5H-1,3-diazepine-2,4-dione?
1,6-dimethyl-5H-1,3-diazepine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5H-1,3-diazepine-2,4-dione is sourced from PubChem (CID 123185562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).