2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 489870
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: n1c(ncc2c1CCCC2N)c1ccccc1
• Canonical SMILES: NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C14H15N3/c15-12-7-4-8-13-11(12)9-16-14(17-13)10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8,15H2
• InChIKey: ZTXURZVDGVBCIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: 2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6927289
• LogD (pH = 7.4): 0.62077165
• Log P: 2.3929143
• Molar Refractivity: 78.3648 cm^3
• Polarizability: 26.936655 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.27
• LOG S: -1.77
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1