N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 710514
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c12nc(oc1ncnc2N(Cc1ccc(cc1)OC)CCCOC)C
• Canonical SMILES: COCCCN(c1ncnc2c1nc(o2)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C18H22N4O3/c1-13-21-16-17(19-12-20-18(16)25-13)22(9-4-10-23-2)11-14-5-7-15(24-3)8-6-14/h5-8,12H,4,9-11H2,1-3H3
• InChIKey: JZWQMNZJNPABIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-(4-methoxybenzyl)-N-(3-methoxypropyl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.168975
• LogD (pH = 7.4): 2.1691668
• Log P: 2.1691692
• Molar Refractivity: 95.5075 cm^3
• Polarizability: 36.30433 Å^3
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.48
• LOG S: -3.82
• Polar Surface Area: 73.51 Å^2
• Rotatable Bonds: 8