4-ethyl-5-methyl-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidin-2-amine

• ChemBase ID: 719168
• Molecular Formular: C15H21N7
• Molecular Mass: 299.37414
• Monoisotopic Mass: 299.18584371
• SMILES: c1(nc(nc(c1C)CC)N)N1CCN(c2nccnc2)CC1
• Canonical SMILES: CCc1nc(N)nc(c1C)N1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C15H21N7/c1-3-12-11(2)14(20-15(16)19-12)22-8-6-21(7-9-22)13-10-17-4-5-18-13/h4-5,10H,3,6-9H2,1-2H3,(H2,16,19,20)
• InChIKey: YGHNMMVALOJELW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methyl-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidin-2-amine
• IUPAC Traditional name: 4-ethyl-5-methyl-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidin-2-amine
• Synonyms: 4-ethyl-5-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.779789
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.1306528
• LogD (pH = 7.4): 1.4404562
• Log P: 1.8447767
• Molar Refractivity: 88.9187 cm^3
• Polarizability: 31.773169 Å^3
• Polar Surface Area: 84.06 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: 1.67
• LOG S: -3.23
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 3