4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

• ChemBase ID: 561821
• Molecular Formular: C16H22N6
• Molecular Mass: 298.38608
• Monoisotopic Mass: 298.19059473
• SMILES: n1c(N2Cc3n(cnc3)CC2)c2c(nc1N(C)C)CCCC2
• Canonical SMILES: CN(c1nc(N2CCn3c(C2)cnc3)c2c(n1)CCCC2)C
• InChI: InChI=1S/C16H22N6/c1-20(2)16-18-14-6-4-3-5-13(14)15(19-16)21-7-8-22-11-17-9-12(22)10-21/h9,11H,3-8,10H2,1-2H3
• InChIKey: WJUONOGVSJWMMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-yl}-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine
• Synonyms: 4-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl)-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.48866427
• LogD (pH = 7.4): 2.2188292
• Log P: 2.4433923
• Molar Refractivity: 89.27 cm^3
• Polarizability: 32.103386 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -3.28
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 2