2,5-dimethyl-N-(2-propoxyethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 580261
• Molecular Formular: C12H18N4O2
• Molecular Mass: 250.29692
• Monoisotopic Mass: 250.14297584
• SMILES: c12c(nc(nc2NCCOCCC)C)oc(n1)C
• Canonical SMILES: CCCOCCNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C12H18N4O2/c1-4-6-17-7-5-13-11-10-12(15-8(2)14-11)18-9(3)16-10/h4-7H2,1-3H3,(H,13,14,15)
• InChIKey: RZWCNGXQORTQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.590798
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.506085
• LogD (pH = 7.4): 1.5060927
• Log P: 1.5060928
• Molar Refractivity: 69.2285 cm^3
• Polarizability: 25.973238 Å^3
• Polar Surface Area: 73.07 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: 1.96
• LOG S: -2.7
• Polar Surface Area: 73.07 Å^2
• Rotatable Bonds: 6