2-phenyl-N-(pyrazin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 484869
• Molecular Formular: C18H17N5
• Molecular Mass: 303.36108
• Monoisotopic Mass: 303.14839557
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1Nc1nccnc1
• Canonical SMILES: c1ccc(cc1)c1ncc2c(n1)CCCC2Nc1cnccn1
• InChI: InChI=1S/C18H17N5/c1-2-5-13(6-3-1)18-21-11-14-15(7-4-8-16(14)23-18)22-17-12-19-9-10-20-17/h1-3,5-6,9-12,15H,4,7-8H2,(H,20,22)
• InChIKey: BOQCKHIBPQQLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-(pyrazin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-phenyl-N-(pyrazin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: 2-phenyl-N-pyrazin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.52681
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7017255
• LogD (pH = 7.4): 2.70208
• Log P: 2.7020845
• Molar Refractivity: 100.6975 cm^3
• Polarizability: 34.320053 Å^3
• Polar Surface Area: 63.59 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: 2.4
• LOG S: -3.46
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 3