{1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}[(trimethylpyrazin-2-yl)methyl]amine

• ChemBase ID: 661809
• Molecular Formular: C20H24N6
• Molecular Mass: 348.44476
• Monoisotopic Mass: 348.2062448
• SMILES: n1c(ncc(c1C)C(NCc1nc(c(nc1C)C)C)C)c1ccncc1
• Canonical SMILES: CC(c1cnc(nc1C)c1ccncc1)NCc1nc(C)c(nc1C)C
• InChI: InChI=1S/C20H24N6/c1-12-13(2)25-19(16(5)24-12)11-22-14(3)18-10-23-20(26-15(18)4)17-6-8-21-9-7-17/h6-10,14,22H,11H2,1-5H3
• InChIKey: SVFARQQVFRWMAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}[(trimethylpyrazin-2-yl)methyl]amine
• IUPAC Traditional name: {1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}[(trimethylpyrazin-2-yl)methyl]amine
• Synonyms: 1-[4-methyl-2-(4-pyridinyl)-5-pyrimidinyl]-N-[(3,5,6-trimethyl-2-pyrazinyl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.38454577
• LogD (pH = 7.4): 1.1060406
• Log P: 1.3191434
• Molar Refractivity: 111.7859 cm^3
• Polarizability: 39.83511 Å^3
• Polar Surface Area: 76.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.63
• LOG S: -4.17
• Polar Surface Area: 76.48 Å^2
• Rotatable Bonds: 5