5-methoxy-1,3-diazinane-2,4,6-trione

C5H6N2O4 — CID 15001716

IUPAC5-methoxy-1,3-diazinane-2,4,6-trione
SMILESCOC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)
InChIKeyXNRQLKANHYMDGS-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.63
Rot. Bonds1

About 5-methoxy-1,3-diazinane-2,4,6-trione

5-methoxy-1,3-diazinane-2,4,6-trione (PubChem CID 15001716) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 5-methoxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-methoxy-1,3-diazinane-2,4,6-trione
PubChem CID15001716
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name5-methoxy-1,3-diazinane-2,4,6-trione
SMILESCOC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)
InChIKeyXNRQLKANHYMDGS-UHFFFAOYSA-N
XLogP-1.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Hydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 179547
Dialuric acid monohydrate
CID 179546
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
CID 104384
5-Fluoro-5-methoxy-1,3-diazinane-2,4,6-trione
CID 15001719
5-Methoxy-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 21912476
(2,4,6-Trioxo-1,3-diazinan-5-yl) propanoate
CID 142771074
Sodium;hydride;5-hydroxy-1,3-diazinane-2,4,6-trione
CID 174909978
5-hydroxy-(2,4-13C2,1,3-14N2)1,3-diazinane-2,4,6-trione
CID 10630648
5,5-Dimethoxy-1,3-diazinane-2,4,6-trione
CID 13229391
Dialuric Acid-13C,15N2
CID 71315883
Dihydro-5-methoxy-2,4(1H,3H)-pyrimidinedione
CID 71650995
5-Hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
CID 119096804

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-methoxy-1,3-diazinane-2,4,6-trione (CID 15001716) is 5-methoxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-methoxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-methoxy-1,3-diazinane-2,4,6-trione is COC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-methoxy-1,3-diazinane-2,4,6-trione?
The InChIKey is XNRQLKANHYMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c1-11-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10).
What are the key properties of 5-methoxy-1,3-diazinane-2,4,6-trione?
5-methoxy-1,3-diazinane-2,4,6-trione has a molecular weight of 158.11 g/mol, XLogP of -1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 15001716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).