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

• ChemBase ID: 655655
• Molecular Formular: C15H15N7O
• Molecular Mass: 309.3259
• Monoisotopic Mass: 309.13380814
• SMILES: c12nc(cn1cccn2)C(Nc1c2c(onc2C)ncn1)CC
• Canonical SMILES: CCC(c1cn2c(n1)nccc2)Nc1ncnc2c1c(C)no2
• InChI: InChI=1S/C15H15N7O/c1-3-10(11-7-22-6-4-5-16-15(22)20-11)19-13-12-9(2)21-23-14(12)18-8-17-13/h4-8,10H,3H2,1-2H3,(H,17,18,19)
• InChIKey: QZSVHGBOKZKXKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.702599
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7252052
• LogD (pH = 7.4): 0.73044026
• Log P: 0.7305074
• Molar Refractivity: 87.3833 cm^3
• Polarizability: 31.510447 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: 1.01
• LOG S: -4.2
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4