5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

C13H14N2O4 — CID 528903

IUPAC5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC(O)C1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O4/c1-8(16)13(9-6-4-3-5-7-9)10(17)14-12(19)15(2)11(13)18/h3-8,16H,1-2H3,(H,14,17,19)
InChIKeyQQTAUICLIXCZDS-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.01
Rot. Bonds2

About 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 528903) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID528903
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC(O)C1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O4/c1-8(16)13(9-6-4-3-5-7-9)10(17)14-12(19)15(2)11(13)18/h3-8,16H,1-2H3,(H,14,17,19)
InChIKeyQQTAUICLIXCZDS-UHFFFAOYSA-N
XLogP0.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
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-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 528903) is 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is CC(O)C1(c2ccccc2)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QQTAUICLIXCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8(16)13(9-6-4-3-5-7-9)10(17)14-12(19)15(2)11(13)18/h3-8,16H,1-2H3,(H,14,17,19).
What are the key properties of 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 262.26 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 528903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).