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

• ChemBase ID: 758251
• Molecular Formular: C13H14N6O
• Molecular Mass: 270.28986
• Monoisotopic Mass: 270.1229091
• SMILES: c12c(nc(nc2NCc2ncc(nc2)C)C)oc(n1)C
• Canonical SMILES: Cc1ncc(nc1)CNc1nc(C)nc2c1nc(o2)C
• InChI: InChI=1S/C13H14N6O/c1-7-4-15-10(5-14-7)6-16-12-11-13(18-8(2)17-12)20-9(3)19-11/h4-5H,6H2,1-3H3,(H,16,17,18)
• InChIKey: OFVXWQMXYYSOQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6032095
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.40028882
• LogD (pH = 7.4): 0.40031028
• Log P: 0.40031058
• Molar Refractivity: 73.2805 cm^3
• Polarizability: 27.482183 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.3
• LOG S: -2.28
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 3