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

• ChemBase ID: 694288
• Molecular Formular: C14H17N5OS
• Molecular Mass: 303.38268
• Monoisotopic Mass: 303.11538119
• SMILES: c12c(nc(nc2NCc2nc(sc2)CCC)C)oc(n1)C
• Canonical SMILES: CCCc1scc(n1)CNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C14H17N5OS/c1-4-5-11-19-10(7-21-11)6-15-13-12-14(17-8(2)16-13)20-9(3)18-12/h7H,4-6H2,1-3H3,(H,15,16,17)
• InChIKey: DYFPPPOUFLOOPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.630994
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5277526
• LogD (pH = 7.4): 2.5284953
• Log P: 2.5285048
• Molar Refractivity: 81.8798 cm^3
• Polarizability: 30.73822 Å^3
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.62
• LOG S: -3.65
• Polar Surface Area: 76.73 Å^2
• Rotatable Bonds: 5