2-methyl-6-(3-phenylpiperazin-1-yl)pyrimidin-4-amine

• ChemBase ID: 624169
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: c1(nc(nc(c1)N)C)N1CC(NCC1)c1ccccc1
• Canonical SMILES: Nc1cc(nc(n1)C)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C15H19N5/c1-11-18-14(16)9-15(19-11)20-8-7-17-13(10-20)12-5-3-2-4-6-12/h2-6,9,13,17H,7-8,10H2,1H3,(H2,16,18,19)
• InChIKey: ALUSIDXCXLQOEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(3-phenylpiperazin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 2-methyl-6-(3-phenylpiperazin-1-yl)pyrimidin-4-amine
• Synonyms: 2-methyl-6-(3-phenylpiperazin-1-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5822659
• LogD (pH = 7.4): 0.61853224
• Log P: 2.4351015
• Molar Refractivity: 82.1409 cm^3
• Polarizability: 30.330986 Å^3
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.17
• LOG S: -0.8
• Polar Surface Area: 67.07 Å^2
• Rotatable Bonds: 2