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

• ChemBase ID: 784559
• Molecular Formular: C18H21N3
• Molecular Mass: 279.37944
• Monoisotopic Mass: 279.17354769
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC1CCC1
• Canonical SMILES: C1CC(C1)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C18H21N3/c1-2-6-13(7-3-1)18-19-12-15-16(20-14-8-4-9-14)10-5-11-17(15)21-18/h1-3,6-7,12,14,16,20H,4-5,8-11H2
• InChIKey: HVWWJRSAYWUPCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4306527
• LogD (pH = 7.4): 1.823004
• Log P: 3.6408384
• Molar Refractivity: 94.9516 cm^3
• Polarizability: 33.582207 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.04
• LOG S: -3.67
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3