1,3-diazinane-2,4,6-trione;methane

C6H12N2O3 — CID 70575233

IUPAC1,3-diazinane-2,4,6-trione;methane
SMILESC.C.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2CH4/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H4
InChIKeyAGWRCZQBQSWIBQ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.01
Rot. Bonds

About 1,3-diazinane-2,4,6-trione;methane

1,3-diazinane-2,4,6-trione;methane (PubChem CID 70575233) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1,3-diazinane-2,4,6-trione;methane.

Molecular Properties

Compound Name1,3-diazinane-2,4,6-trione;methane
PubChem CID70575233
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1,3-diazinane-2,4,6-trione;methane
SMILESC.C.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2CH4/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H4
InChIKeyAGWRCZQBQSWIBQ-UHFFFAOYSA-N
XLogP0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Barbituric Acid
CID 6211
5,5-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 90509
5-Ethylbarbituric acid
CID 17292
Hydrouracil, 1-methyl-
CID 237963
5-Methylbarbituric acid
CID 232791
1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 75722
Sodium barbiturate
CID 23686426
5-Ethyl-5-methyl-1H,3H,5H-pyrimidin-2,4,6-trione
CID 95705
5-(1-Methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81874
1,5-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 151461
6,6-Dimethyldihydropyrimidine-2,4(1h,3h)-dione
CID 239232
1-Ethyl-1,3-diazinane-2,4,6-trione
CID 257087

Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4,6-trione;methane?
The IUPAC name of 1,3-diazinane-2,4,6-trione;methane (CID 70575233) is 1,3-diazinane-2,4,6-trione;methane.
What is the SMILES notation for 1,3-diazinane-2,4,6-trione;methane?
The canonical SMILES for 1,3-diazinane-2,4,6-trione;methane is C.C.O=C1CC(=O)NC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4,6-trione;methane?
The InChIKey is AGWRCZQBQSWIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.2CH4/c7-2-1-3(8)6-4(9)5-2;;/h1H2,(H2,5,6,7,8,9);2*1H4.
What are the key properties of 1,3-diazinane-2,4,6-trione;methane?
1,3-diazinane-2,4,6-trione;methane has a molecular weight of 160.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,6-trione;methane is sourced from PubChem (CID 70575233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).