N-{2-[3-(dimethylamino)phenoxy]propyl}-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 755950
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c12c(nc(nc2NCC(Oc2cc(N(C)C)ccc2)C)C)oc(n1)C
• Canonical SMILES: CC(Oc1cccc(c1)N(C)C)CNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C18H23N5O2/c1-11(24-15-8-6-7-14(9-15)23(4)5)10-19-17-16-18(21-12(2)20-17)25-13(3)22-16/h6-9,11H,10H2,1-5H3,(H,19,20,21)
• InChIKey: DWUJKEVDAUNTOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.438906
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.983596
• LogD (pH = 7.4): 2.993579
• Log P: 2.9937077
• Molar Refractivity: 98.312 cm^3
• Polarizability: 36.671104 Å^3
• Polar Surface Area: 76.31 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: 3.42
• LOG S: -4.61
• Polar Surface Area: 76.31 Å^2
• Rotatable Bonds: 6