5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione

C13H22N2O3 — CID 3149437

IUPAC5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(CCCC)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-6-8-13(9-7-5-2)10(16)14-12(18)15(3)11(13)17/h4-9H2,1-3H3,(H,14,16,18)
InChIKeyRNORYIMVWMSUDN-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.06
Rot. Bonds6

About 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione

5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 3149437) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione
PubChem CID3149437
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(CCCC)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-4-6-8-13(9-7-5-2)10(16)14-12(18)15(3)11(13)17/h4-9H2,1-3H3,(H,14,16,18)
InChIKeyRNORYIMVWMSUDN-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.06
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 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione (CID 3149437) is 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione is CCCCC1(CCCC)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RNORYIMVWMSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-6-8-13(9-7-5-2)10(16)14-12(18)15(3)11(13)17/h4-9H2,1-3H3,(H,14,16,18).
What are the key properties of 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione?
5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-1-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3149437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).