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

• ChemBase ID: 776119
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c12c(nc(nc2NCC(c2ccccc2)C)C)oc(n1)C
• Canonical SMILES: CC(c1ccccc1)CNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C16H18N4O/c1-10(13-7-5-4-6-8-13)9-17-15-14-16(19-11(2)18-15)21-12(3)20-14/h4-8,10H,9H2,1-3H3,(H,17,18,19)
• InChIKey: SDEAQTJXDIYSGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.484573
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1631987
• LogD (pH = 7.4): 3.1632066
• Log P: 3.1632066
• Molar Refractivity: 82.7516 cm^3
• Polarizability: 31.087347 Å^3
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.54
• LOG S: -4.28
• Polar Surface Area: 63.84 Å^2
• Rotatable Bonds: 4