5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione

C10H16N2O3 — CID 20324

IUPAC5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-6(2)10(3)7(13)11-9(15)12(4)8(10)14/h6H,5H2,1-4H3,(H,11,13,15)
InChIKeyAYBRRBPPDIRNBY-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.75
Rot. Bonds2

About 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione

5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 20324) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID20324
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC(C)C1(C)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-6(2)10(3)7(13)11-9(15)12(4)8(10)14/h6H,5H2,1-4H3,(H,11,13,15)
InChIKeyAYBRRBPPDIRNBY-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 20324) is 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione is CCC(C)C1(C)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AYBRRBPPDIRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-6(2)10(3)7(13)11-9(15)12(4)8(10)14/h6H,5H2,1-4H3,(H,11,13,15).
What are the key properties of 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione?
5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).