1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione

C12H16N4O5 — CID 160554598

IUPAC1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)N(C)C(=O)N1.CN1C(=O)CC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O3.C6H8N2O2/c1-7-4(9)3-5(10)8(2)6(7)11;1-4-3-5(9)8(2)6(10)7-4/h3H2,1-2H3;1,3H2,2H3,(H,7,10)
InChIKeyQYMZKLCQENZEDW-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.50
Rot. Bonds

About 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione

1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione (PubChem CID 160554598) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione
PubChem CID160554598
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1CC(=O)N(C)C(=O)N1.CN1C(=O)CC(=O)N(C)C1=O
InChIInChI=1S/C6H8N2O3.C6H8N2O2/c1-7-4(9)3-5(10)8(2)6(7)11;1-4-3-5(9)8(2)6(10)7-4/h3H2,1-2H3;1,3H2,2H3,(H,7,10)
InChIKeyQYMZKLCQENZEDW-UHFFFAOYSA-N
XLogP-0.50
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 143328426
6-Methylidene-1,3-diazinane-2,4-dione;1,3,5-triazinane-2,4,6-trione
CID 159488382
6-Methylidene-1,3-diazinane-2,4-dione;piperazine
CID 159527951
Copper(1+);6-methylidenepyrimidin-3-ide-2,4-dione;pyrimidin-3-ide-2,4,6-trione;dihydrate
CID 161697386
3-Methyl-6-methylidene-1,3-diazinane-2,4-dione
CID 160554599

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione (CID 160554598) is 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione is C=C1CC(=O)N(C)C(=O)N1.CN1C(=O)CC(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is QYMZKLCQENZEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.C6H8N2O2/c1-7-4(9)3-5(10)8(2)6(7)11;1-4-3-5(9)8(2)6(10)7-4/h3H2,1-2H3;1,3H2,2H3,(H,7,10).
What are the key properties of 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione?
1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 296.28 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinane-2,4,6-trione;3-methyl-6-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 160554598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).