N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 435105
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: c12c(nc(nc1N(CC1OCCC1)CCN(C)C)C)oc(n2)C
• Canonical SMILES: CN(CCN(c1nc(C)nc2c1nc(o2)C)CC1CCCO1)C
• InChI: InChI=1S/C16H25N5O2/c1-11-17-15(14-16(18-11)23-12(2)19-14)21(8-7-20(3)4)10-13-6-5-9-22-13/h13H,5-10H2,1-4H3
• InChIKey: FWUCDADSOZMYKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-(2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-N',N'-dimethyl-N-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.255342
• LogD (pH = 7.4): 0.5080924
• Log P: 1.7455425
• Molar Refractivity: 89.421 cm^3
• Polarizability: 34.1251 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.81
• LOG S: -2.07
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 6