N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 743523
• Molecular Formular: C15H15N7O
• Molecular Mass: 309.3259
• Monoisotopic Mass: 309.13380814
• SMILES: c12nc(cn1cccn2)C(Nc1c2nc(oc2ncn1)C)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)Nc1ncnc2c1nc(o2)C
• InChI: InChI=1S/C15H15N7O/c1-3-10(11-7-22-6-4-5-16-15(22)21-11)20-13-12-14(18-8-17-13)23-9(2)19-12/h4-8,10H,3H2,1-2H3,(H,17,18,20)
• InChIKey: IPVJIFRNSVMEEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.95934
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.68414855
• LogD (pH = 7.4): 0.68538237
• Log P: 0.6853982
• Molar Refractivity: 86.1279 cm^3
• Polarizability: 31.508585 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.74
• LOG S: -4.2
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4