4-[4-(pyrazin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 790292
• Molecular Formular: C16H21N7
• Molecular Mass: 311.38484
• Monoisotopic Mass: 311.18584371
• SMILES: c1(nc(nc2c1CCCC2)N)N1CCN(c2nccnc2)CC1
• Canonical SMILES: Nc1nc(N2CCN(CC2)c2cnccn2)c2c(n1)CCCC2
• InChI: InChI=1S/C16H21N7/c17-16-20-13-4-2-1-3-12(13)15(21-16)23-9-7-22(8-10-23)14-11-18-5-6-19-14/h5-6,11H,1-4,7-10H2,(H2,17,20,21)
• InChIKey: JNHNOLVUCRDECA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(pyrazin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-[4-(pyrazin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.690958
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.14791986
• LogD (pH = 7.4): 1.4705349
• Log P: 1.8256196
• Molar Refractivity: 91.7175 cm^3
• Polarizability: 32.8874 Å^3
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -3.64
• Polar Surface Area: 84.06 Å^2
• Rotatable Bonds: 2