1-amino(5,5-2H2)imidazolidine-2,4-dione hydrochloride

• ChemBase ID: 77138
• Molecular Formular: C3H6ClN3O2
• Molecular Mass: 151.55164
• Monoisotopic Mass: 151.01485413
• SMILES: N1C(=O)CN(C1=O)N.Cl
• Canonical SMILES: O=C1CN(C(=O)N1)N.Cl
• InChI: InChI=1S/C3H5N3O2.ClH/c4-6-1-2(7)5-3(6)8;/h1,4H2,(H,5,7,8);1H
• InChIKey: WEOHANUVLKERQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino(5,5-^2H₂)imidazolidine-2,4-dione hydrochloride
• IUPAC Traditional name: 1-amino(5,5-^2H₂)imidazolidine-2,4-dione hydrochloride
• Synonyms: 1-Aminohydantoin-d2 hydrochloride >95%

Database IDs

• MDL Number: MFCD04038845
• PubChem SID: 162042012
• PubChem CID: 44118736

CALCULATED PROPERTIES

• Acid pKa: 9.418758
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7520021
• LogD (pH = 7.4): -1.7508557
• Log P: -1.7466961
• Molar Refractivity: 25.5302 cm^3
• Polarizability: 9.555252 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true