Details of the Drug

General Information of Drug (ID: DMRMKXD)

Drug Name

5-Methyl-5-phenyl-pyrimidine-2,4,6-trione

Synonyms

Heptobarbital; Mephebarbital; Eudan; Phenylmethylbarbituric acid; Rutonal; Methylphenylbarbital; 5-Methyl-5-phenylbarbituric acid; 5-Methyl-5-phenylbarbityric acid; 76-94-8; 5-Phenyl-5-methylbarbituric acid; NSC 80543; Barbituric acid, 5-methyl-5-phenyl-; UNII-GFR227X6YY; 5-Methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; EINECS 200-994-8; BRN 0201825; GFR227X6YY; CHEMBL329617; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-phenyl-; 5-methyl-5-phenyl-barbituric acid; C11H10N2O3; 5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

218.21

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H10N2O3
IUPAC Name: 5-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI: InChI=1S/C11H10N2O3/c1-11(7-5-3-2-4-6-7)8(14)12-10(16)13-9(11)15/h2-6H,1H3,(H2,12,13,14,15,16)
InChIKey: LSAOZCAKUIANSQ-UHFFFAOYSA-N