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

C13H14N2O3 — CID 6451435

IUPAC(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m0/s1
InChIKeyALARQZQTBTVLJV-ZDUSSCGKSA-N
MW246.27 g/mol
LogP1.04
Rot. Bonds2

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

(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 6451435) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID6451435
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m0/s1
InChIKeyALARQZQTBTVLJV-ZDUSSCGKSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.04
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 (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 6451435) is (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is CC[C@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ALARQZQTBTVLJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)/t13-/m0/s1.
What are the key properties of (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
(5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 246.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6451435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).