5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione

C10H16N2O4 — CID 528887

IUPAC5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione
SMILESCCC(O)CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-3-6(13)5-10(4-2)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKeyDFSRCCCREWOIAC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.09
Rot. Bonds4

About 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione

5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione (PubChem CID 528887) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione
PubChem CID528887
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione
SMILESCCC(O)CC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-3-6(13)5-10(4-2)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16)
InChIKeyDFSRCCCREWOIAC-UHFFFAOYSA-N
XLogP-0.09
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
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 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione (CID 528887) is 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione is CCC(O)CC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is DFSRCCCREWOIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-6(13)5-10(4-2)7(14)11-9(16)12-8(10)15/h6,13H,3-5H2,1-2H3,(H2,11,12,14,15,16).
What are the key properties of 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione?
5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 228.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(2-hydroxybutyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 528887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).