N5-cyclopropyl-N6-(2,2-dimethyloxan-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

• ChemBase ID: 588019
• Molecular Formular: C14H20N6O2
• Molecular Mass: 304.3476
• Monoisotopic Mass: 304.16477391
• SMILES: c12c(nc(c(n1)NC1CC(OCC1)(C)C)NC1CC1)non2
• Canonical SMILES: CC1(C)OCCC(C1)Nc1nc2nonc2nc1NC1CC1
• InChI: InChI=1S/C14H20N6O2/c1-14(2)7-9(5-6-21-14)16-11-10(15-8-3-4-8)17-12-13(18-11)20-22-19-12/h8-9H,3-7H2,1-2H3,(H,15,17,19)(H,16,18,20)
• InChIKey: LKJOHQTWDWLRCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N5-cyclopropyl-N6-(2,2-dimethyloxan-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• IUPAC Traditional name: N5-cyclopropyl-N6-(2,2-dimethyloxan-4-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
• Synonyms: N-cyclopropyl-N'-(2,2-dimethyltetrahydro-2H-pyran-4-yl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.183474
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 0.7962899
• LogD (pH = 7.4): 0.7963062
• Log P: 0.7963064
• Molar Refractivity: 86.7249 cm^3
• Polarizability: 29.886774 Å^3
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.59
• LOG S: -3.74
• Polar Surface Area: 97.99 Å^2
• Rotatable Bonds: 4