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

• ChemBase ID: 711232
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: c12nc(oc1ncnc2N(CCCC1OCCC1)C)C
• Canonical SMILES: Cc1oc2c(n1)c(ncn2)N(CCCC1CCCO1)C
• InChI: InChI=1S/C14H20N4O2/c1-10-17-12-13(15-9-16-14(12)20-10)18(2)7-3-5-11-6-4-8-19-11/h9,11H,3-8H2,1-2H3
• InChIKey: WVMVILQUAQDONU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5850766
• LogD (pH = 7.4): 1.5852919
• Log P: 1.5852946
• Molar Refractivity: 76.2875 cm^3
• Polarizability: 29.0007 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.48
• LOG S: -2.48
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5