3-(5-chloro-2-methoxypyridin-4-yl)-N-methylpyrazin-2-amine

• ChemBase ID: 469984
• Molecular Formular: C11H11ClN4O
• Molecular Mass: 250.68424
• Monoisotopic Mass: 250.06213867
• SMILES: c1(c2c(nccn2)NC)c(cnc(c1)OC)Cl
• Canonical SMILES: CNc1nccnc1c1cc(OC)ncc1Cl
• InChI: InChI=1S/C11H11ClN4O/c1-13-11-10(14-3-4-15-11)7-5-9(17-2)16-6-8(7)12/h3-6H,1-2H3,(H,13,15)
• InChIKey: GBEQGOHQZJJNNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-chloro-2-methoxypyridin-4-yl)-N-methylpyrazin-2-amine
• IUPAC Traditional name: 3-(5-chloro-2-methoxypyridin-4-yl)-N-methylpyrazin-2-amine
• Synonyms: 3-(5-chloro-2-methoxypyridin-4-yl)-N-methylpyrazin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.380196
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4612725
• LogD (pH = 7.4): 1.4613696
• Log P: 1.4613708
• Molar Refractivity: 66.4403 cm^3
• Polarizability: 25.987726 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.57
• LOG S: -2.37
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 3