N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide

• ChemBase ID: 61232
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: c1c(nc(nc1C)NC(=N)N1CCN(CC1)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)N1CCN(CC1)C(=N)Nc1nc(C)cc(n1)C
• InChI: InChI=1S/C18H24N6O/c1-13-12-14(2)21-18(20-13)22-17(19)24-10-8-23(9-11-24)15-4-6-16(25-3)7-5-15/h4-7,12H,8-11H2,1-3H3,(H2,19,20,21,22)
• InChIKey: IVICWFHCELNJGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide
• IUPAC Traditional name: N-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)piperazine-1-carboximidamide
• Synonyms: N-(4,6-Dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl) piperazine-1-carboximidamide

Database IDs

• MDL Number: MFCD03903919
• PubChem SID: 162026973
• PubChem CID: 5739198

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.014691147
• LogD (pH = 7.4): 1.4848748
• Log P: 2.085409
• Molar Refractivity: 111.0662 cm^3
• Polarizability: 36.799892 Å^3
• Polar Surface Area: 77.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false