Barbituric acid, 5-cyclohexyl-1,3-diphenyl-

C22H22N2O3 — CID 14725

About Barbituric acid, 5-cyclohexyl-1,3-diphenyl-

Barbituric acid, 5-cyclohexyl-1,3-diphenyl- (PubChem CID 14725) has the molecular formula C22H22N2O3 and a molecular weight of 362.40 g/mol. Its IUPAC name is 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

• Compound Name: Barbituric acid, 5-cyclohexyl-1,3-diphenyl-
• PubChem CID: 14725
• Molecular Formula: C22H22N2O3
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.16
• IUPAC Name: 5-cyclohexyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
• SMILES: C1CCC(CC1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
• InChIKey: OODLKCKQFLUWOT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 57.70 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: 532

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.40
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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