N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 494857
• Molecular Formular: C19H22N6
• Molecular Mass: 334.41818
• Monoisotopic Mass: 334.19059473
• SMILES: n1c(ncc2c1CCCC2NCc1n(ccn1)CC)c1cnccc1
• Canonical SMILES: CCn1ccnc1CNC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C19H22N6/c1-2-25-10-9-21-18(25)13-22-16-6-3-7-17-15(16)12-23-19(24-17)14-5-4-8-20-11-14/h4-5,8-12,16,22H,2-3,6-7,13H2,1H3
• InChIKey: NTGFTMPBQPYXGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(3-pyridinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.39820227
• LogD (pH = 7.4): 1.7184548
• Log P: 1.8727195
• Molar Refractivity: 107.5222 cm^3
• Polarizability: 37.858902 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.27
• LOG S: -3.28
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4