5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

C12H14N2O2 — CID 4909

💊View drug profile → primidone
IUPAC5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
SMILESCCC1(c2ccccc2)C(=O)NCNC1=O
InChIInChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyDQMZLTXERSFNPB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.54
Rot. Bonds2

About 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

5-ethyl-5-phenyl-1,3-diazinane-4,6-dione (PubChem CID 4909) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
PubChem CID4909
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
SMILESCCC1(c2ccccc2)C(=O)NCNC1=O
InChIInChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyDQMZLTXERSFNPB-UHFFFAOYSA-N
XLogP0.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenobarbital
CID 4763
Mephobarbital
CID 8271
Eterobarb
CID 33925
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12897
5-(4-Biphenylyl)-5-ethylbarbituric acid
CID 2220392
Barbexaclone
CID 71196
Barbituric acid, 5-hexyl-5-phenyl-
CID 49292
1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81873
5,5-Diphenylbarbituric acid
CID 46484
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-1-(phenylmethyl)-
CID 304583

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione (CID 4909) is 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione is CCC1(c2ccccc2)C(=O)NCNC1=O.
What is the InChIKey of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione?
The InChIKey is DQMZLTXERSFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione?
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione has a molecular weight of 218.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 4909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).