N-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 520409
• Molecular Formular: C17H19ClN4O2
• Molecular Mass: 346.81136
• Monoisotopic Mass: 346.11965355
• SMILES: c12c(nc(nc1N(Cc1c(ccc(c1)Cl)OC)CC)C)oc(n2)C
• Canonical SMILES: CCN(c1nc(C)nc2c1nc(o2)C)Cc1cc(Cl)ccc1OC
• InChI: InChI=1S/C17H19ClN4O2/c1-5-22(9-12-8-13(18)6-7-14(12)23-4)16-15-17(20-10(2)19-16)24-11(3)21-15/h6-8H,5,9H2,1-4H3
• InChIKey: JXKJQOGZFPXHEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.8716812
• LogD (pH = 7.4): 3.871686
• Log P: 3.871686
• Molar Refractivity: 93.7764 cm^3
• Polarizability: 35.56425 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.17
• LOG S: -5.29
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5