N-benzyl-N-ethyl-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 694710
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c12c(nc(nc1N(Cc1ccccc1)CC)C)oc(n2)C
• Canonical SMILES: CCN(c1nc(C)nc2c1nc(o2)C)Cc1ccccc1
• InChI: InChI=1S/C16H18N4O/c1-4-20(10-13-8-6-5-7-9-13)15-14-16(18-11(2)17-15)21-12(3)19-14/h5-9H,4,10H2,1-3H3
• InChIKey: WMWCRLAUXBQUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethyl-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-benzyl-N-ethyl-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-benzyl-N-ethyl-2,5-dimethyl[1,3]oxazolo[5,4-d]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5035772
• LogD (pH = 7.4): 3.503582
• Log P: 3.503582
• Molar Refractivity: 82.5084 cm^3
• Polarizability: 31.162384 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.4
• LOG S: -4.16
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 4