1,3-diazinane-2,4,6-trione;2H-pyran

C9H10N2O4 — CID 175296770

IUPAC1,3-diazinane-2,4,6-trione;2H-pyran
SMILESC1=CCOC=C1.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C5H6O.C4H4N2O3/c1-2-4-6-5-3-1;7-2-1-3(8)6-4(9)5-2/h1-4H,5H2;1H2,(H2,5,6,7,8,9)
InChIKeyLUUBVDYJHUABSY-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.17
Rot. Bonds

About 1,3-diazinane-2,4,6-trione;2H-pyran

1,3-diazinane-2,4,6-trione;2H-pyran (PubChem CID 175296770) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1,3-diazinane-2,4,6-trione;2H-pyran.

Molecular Properties

Compound Name1,3-diazinane-2,4,6-trione;2H-pyran
PubChem CID175296770
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1,3-diazinane-2,4,6-trione;2H-pyran
SMILESC1=CCOC=C1.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C5H6O.C4H4N2O3/c1-2-4-6-5-3-1;7-2-1-3(8)6-4(9)5-2/h1-4H,5H2;1H2,(H2,5,6,7,8,9)
InChIKeyLUUBVDYJHUABSY-UHFFFAOYSA-N
XLogP-0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4,6-trione;2H-pyran?
The IUPAC name of 1,3-diazinane-2,4,6-trione;2H-pyran (CID 175296770) is 1,3-diazinane-2,4,6-trione;2H-pyran.
What is the SMILES notation for 1,3-diazinane-2,4,6-trione;2H-pyran?
The canonical SMILES for 1,3-diazinane-2,4,6-trione;2H-pyran is C1=CCOC=C1.O=C1CC(=O)NC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4,6-trione;2H-pyran?
The InChIKey is LUUBVDYJHUABSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.C4H4N2O3/c1-2-4-6-5-3-1;7-2-1-3(8)6-4(9)5-2/h1-4H,5H2;1H2,(H2,5,6,7,8,9).
What are the key properties of 1,3-diazinane-2,4,6-trione;2H-pyran?
1,3-diazinane-2,4,6-trione;2H-pyran has a molecular weight of 210.19 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,6-trione;2H-pyran is sourced from PubChem (CID 175296770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).