N-[(2E)-but-2-en-1-yl]-N-(butan-2-yl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 732836
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c12c(N(C(CC)C)C/C=C/C)ncnc2oc(n1)C
• Canonical SMILES: C/C=C/CN(c1ncnc2c1nc(o2)C)C(CC)C
• InChI: InChI=1S/C14H20N4O/c1-5-7-8-18(10(3)6-2)13-12-14(16-9-15-13)19-11(4)17-12/h5,7,9-10H,6,8H2,1-4H3/b7-5+
• InChIKey: BAUGCOBWUNCKSB-FNORWQNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2E)-but-2-en-1-yl]-N-(butan-2-yl)-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-[(2E)-but-2-en-1-yl]-2-methyl-N-(sec-butyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-[(2E)-but-2-en-1-yl]-N-(sec-butyl)-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.002986
• LogD (pH = 7.4): 3.003171
• Log P: 3.0031734
• Molar Refractivity: 77.0504 cm^3
• Polarizability: 28.774614 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.27
• LOG S: -3.89
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5