N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

• ChemBase ID: 742497
• Molecular Formular: C16H25N5O
• Molecular Mass: 303.4026
• Monoisotopic Mass: 303.20591045
• SMILES: c12c(N(CCN(C)C)C3CCCCC3)ncnc2oc(n1)C
• Canonical SMILES: CN(CCN(c1ncnc2c1nc(o2)C)C1CCCCC1)C
• InChI: InChI=1S/C16H25N5O/c1-12-19-14-15(17-11-18-16(14)22-12)21(10-9-20(2)3)13-7-5-4-6-8-13/h11,13H,4-10H2,1-3H3
• InChIKey: JWPUARJIMSOVHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• IUPAC Traditional name: N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
• Synonyms: N-cyclohexyl-N',N'-dimethyl-N-(2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.549076
• LogD (pH = 7.4): 1.1813757
• Log P: 2.4072983
• Molar Refractivity: 87.5561 cm^3
• Polarizability: 33.498688 Å^3
• Polar Surface Area: 58.29 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: 2.86
• LOG S: -2.85
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5