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

C12H12N2O3 — CID 871927

IUPAC(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,15,17)/t9-/m1/s1
InChIKeyIEZTZCXBBTUQMD-SECBINFHSA-N
MW232.24 g/mol
LogP1.30
Rot. Bonds2

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

(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 871927) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID871927
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H12N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,15,17)/t9-/m1/s1
InChIKeyIEZTZCXBBTUQMD-SECBINFHSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.30
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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Related Compounds

(5S)-5-ethyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7027407
(5S)-5-butyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6566015
1-(4-bromophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 112598679
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3512324
(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7038000
1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945885
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
5-[[6-[(6-hydroxy-2,4-dioxo-1-phenyl-1,3-diazinan-5-yl)methyl]-2-pyridinyl]methyl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 144772449
(5S)-5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1256748
1-(3,4-difluorophenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945757
5-[2-oxo-3-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-yl)-1H-indol-3-yl]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 12035129

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione (CID 871927) is (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione is CC[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IEZTZCXBBTUQMD-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,15,17)/t9-/m1/s1.
What are the key properties of (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
(5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 232.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 871927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).