4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-6-methyl-2-propylpyrimidine

• ChemBase ID: 486721
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: c1(N2Cc3n(cnc3)CC2)nc(nc(c1)C)CCC
• Canonical SMILES: CCCc1nc(cc(n1)C)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H19N5/c1-3-4-13-16-11(2)7-14(17-13)18-5-6-19-10-15-8-12(19)9-18/h7-8,10H,3-6,9H2,1-2H3
• InChIKey: WRMWLWZHAVDVQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-yl}-6-methyl-2-propylpyrimidine
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-yl}-6-methyl-2-propylpyrimidine
• Synonyms: 7-(6-methyl-2-propylpyrimidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3397345
• LogD (pH = 7.4): 2.0102484
• Log P: 2.1311793
• Molar Refractivity: 76.2808 cm^3
• Polarizability: 28.00591 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.94
• LOG S: -1.88
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3