N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

• ChemBase ID: 325198
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: n1(nc(c(c1C)CC)C)CCNc1c2c(onc2C)ncn1
• Canonical SMILES: CCc1c(C)nn(c1C)CCNc1ncnc2c1c(C)no2
• InChI: InChI=1S/C15H20N6O/c1-5-12-9(2)19-21(11(12)4)7-6-16-14-13-10(3)20-22-15(13)18-8-17-14/h8H,5-7H2,1-4H3,(H,16,17,18)
• InChIKey: JMUSULQXGRAXJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• Synonyms: N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-3-methylisoxazolo[5,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.676258
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5104034
• LogD (pH = 7.4): 1.5176364
• Log P: 1.517729
• Molar Refractivity: 97.9192 cm^3
• Polarizability: 31.44048 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.27
• LOG S: -4.17
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 5