N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-3-yl)pyrimidin-2-amine

• ChemBase ID: 661915
• Molecular Formular: C15H16N6
• Molecular Mass: 280.32774
• Monoisotopic Mass: 280.14364454
• SMILES: c1(nc(c2cnccc2)ccn1)N(Cc1cn(nc1)C)C
• Canonical SMILES: Cn1ncc(c1)CN(c1nccc(n1)c1cccnc1)C
• InChI: InChI=1S/C15H16N6/c1-20(10-12-8-18-21(2)11-12)15-17-7-5-14(19-15)13-4-3-6-16-9-13/h3-9,11H,10H2,1-2H3
• InChIKey: SLEQXJPLECYGPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-3-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-3-yl)pyrimidin-2-amine
• Synonyms: N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7792642
• LogD (pH = 7.4): 1.8039775
• Log P: 1.8043017
• Molar Refractivity: 93.2202 cm^3
• Polarizability: 31.580584 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.41
• LOG S: -2.59
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 4