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

• ChemBase ID: 764537
• Molecular Formular: C14H16N6O
• Molecular Mass: 284.31644
• Monoisotopic Mass: 284.13855916
• SMILES: c12c(nc(nc1NC(Cc1nccnc1)C)C)oc(n2)C
• Canonical SMILES: CC(Nc1nc(C)nc2c1nc(o2)C)Cc1cnccn1
• InChI: InChI=1S/C14H16N6O/c1-8(6-11-7-15-4-5-16-11)17-13-12-14(19-9(2)18-13)21-10(3)20-12/h4-5,7-8H,6H2,1-3H3,(H,17,18,19)
• InChIKey: MLOQFFZMIPVQOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-N-[1-(pyrazin-2-yl)propan-2-yl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: 2,5-dimethyl-N-[1-(pyrazin-2-yl)propan-2-yl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: 2,5-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.007168
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8008352
• LogD (pH = 7.4): 0.8008573
• Log P: 0.8008576
• Molar Refractivity: 77.8072 cm^3
• Polarizability: 29.318682 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.0
• LOG S: -2.12
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4