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

• ChemBase ID: 572132
• Molecular Formular: C13H15N5O2
• Molecular Mass: 273.2905
• Monoisotopic Mass: 273.12257475
• SMILES: c1(CN(c2c3c(onc3C)ncn2)C)c(onc1C)C
• Canonical SMILES: Cc1onc(c1CN(c1ncnc2c1c(C)no2)C)C
• InChI: InChI=1S/C13H15N5O2/c1-7-10(9(3)19-16-7)5-18(4)12-11-8(2)17-20-13(11)15-6-14-12/h6H,5H2,1-4H3
• InChIKey: SCYYFXKIWJQKOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0507416
• LogD (pH = 7.4): 1.0543956
• Log P: 1.0544424
• Molar Refractivity: 75.574 cm^3
• Polarizability: 27.12795 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.11
• LOG S: -3.01
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 3