6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114554
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: c1(nc(cc(n1)C)N)N1CCN(CC1)c1ccccc1
• Canonical SMILES: Cc1cc(N)nc(n1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C15H19N5/c1-12-11-14(16)18-15(17-12)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
• InChIKey: UHEHQJBAQQDQJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091689
• PubChem SID: 162099542
• PubChem CID: 56724716

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6697216
• LogD (pH = 7.4): 1.8973721
• Log P: 2.4717069
• Molar Refractivity: 83.2509 cm^3
• Polarizability: 29.948503 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.02

Product Information

• Purity: 95+%