N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 721790
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c12c(nc(nc2NCCCn2c(ncc2)CC)C)oc(n1)C
• Canonical SMILES: CCc1nccn1CCCNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C15H20N6O/c1-4-12-16-7-9-21(12)8-5-6-17-14-13-15(19-10(2)18-14)22-11(3)20-13/h7,9H,4-6,8H2,1-3H3,(H,17,18,19)
• InChIKey: NSCXAXKMLVZPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(2-ethylimidazol-1-yl)propyl]-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.777294
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.50754225
• LogD (pH = 7.4): 1.3835256
• Log P: 1.5865822
• Molar Refractivity: 84.7859 cm^3
• Polarizability: 31.522831 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.98
• LOG S: -3.08
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 6