5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione

C12H20N2O3 — CID 139777453

IUPAC5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCN1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-6-7-8-14-11(16)9(4-2)10(15)13-12(14)17/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyJUQZRHLMSOKBLT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.67
Rot. Bonds6

About 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione

5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione (PubChem CID 139777453) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione
PubChem CID139777453
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCN1C(=O)NC(=O)C(CC)C1=O
InChIInChI=1S/C12H20N2O3/c1-3-5-6-7-8-14-11(16)9(4-2)10(15)13-12(14)17/h9H,3-8H2,1-2H3,(H,13,15,17)
InChIKeyJUQZRHLMSOKBLT-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bucolome
CID 2461
N~1~-propylpiperidine-1,3-dicarboxamide
CID 2952083
1-Cyclohexyl-5-ethylbarbituric acid
CID 13276
5-Butyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 23874
Barbituric acid, 1,3-dimethyl-5-isopentyl-
CID 48453
3-Cyclohexyl-6-hydroxy-5-methylpyrimidine-2,4(3H,5H)-dione
CID 13267
Barbituric acid, 1-cyclohexyl-5-(1-methylbutyl)-
CID 13300
Barbituric acid, 1-cyclohexyl-5-propyl-
CID 13459
3-Cyclohexyl-6-hydroxy-5-(2-methylpropyl)pyrimidine-2,4(3H,5H)-dione
CID 13935
Barbituric acid, 5-ethyl-5-(1-ethylpropyl)-1-methyl-
CID 48734
5-(Butan-2-yl)-5-ethyl-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
CID 49178
5-ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 257295

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione (CID 139777453) is 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione is CCCCCCN1C(=O)NC(=O)C(CC)C1=O.
What is the InChIKey of 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione?
The InChIKey is JUQZRHLMSOKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-6-7-8-14-11(16)9(4-2)10(15)13-12(14)17/h9H,3-8H2,1-2H3,(H,13,15,17).
What are the key properties of 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione has a molecular weight of 240.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-hexyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 139777453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).