N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-phenylpyrimidin-4-amine

• ChemBase ID: 620571
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: n1c(cc(nc1c1ccccc1)C)N(CC1(COC1)C)C
• Canonical SMILES: Cc1cc(nc(n1)c1ccccc1)N(CC1(C)COC1)C
• InChI: InChI=1S/C17H21N3O/c1-13-9-15(20(3)10-17(2)11-21-12-17)19-16(18-13)14-7-5-4-6-8-14/h4-9H,10-12H2,1-3H3
• InChIKey: CJUKHICCOZVLNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-phenylpyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-phenylpyrimidin-4-amine
• Synonyms: N,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-phenylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8751907
• LogD (pH = 7.4): 3.6285174
• Log P: 3.655638
• Molar Refractivity: 95.6486 cm^3
• Polarizability: 32.735508 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.84
• LOG S: -3.69
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 4