5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C10H16N2O3 — CID 23874

IUPAC5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h7H,4-6H2,1-3H3
InChIKeyPAAOBODHLHVLMN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.84
Rot. Bonds3

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

5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 23874) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID23874
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h7H,4-6H2,1-3H3
InChIKeyPAAOBODHLHVLMN-UHFFFAOYSA-N
XLogP0.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
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-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 23874) is 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCCCC1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PAAOBODHLHVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h7H,4-6H2,1-3H3.
What are the key properties of 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 23874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).