2-(morpholin-4-yl)-6-(pyrimidin-5-yl)pyrimidin-4-amine

• ChemBase ID: 387936
• Molecular Formular: C12H14N6O
• Molecular Mass: 258.27916
• Monoisotopic Mass: 258.1229091
• SMILES: c1(nc(cc(n1)c1cncnc1)N)N1CCOCC1
• Canonical SMILES: Nc1nc(nc(c1)c1cncnc1)N1CCOCC1
• InChI: InChI=1S/C12H14N6O/c13-11-5-10(9-6-14-8-15-7-9)16-12(17-11)18-1-3-19-4-2-18/h5-8H,1-4H2,(H2,13,16,17)
• InChIKey: CUTWPIQBDPDYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-6-(pyrimidin-5-yl)pyrimidin-4-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)-6-(pyrimidin-5-yl)pyrimidin-4-amine
• Synonyms: 2-morpholin-4-yl-4,5'-bipyrimidin-6-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.01025795
• LogD (pH = 7.4): 0.48106632
• Log P: 0.4931618
• Molar Refractivity: 72.6138 cm^3
• Polarizability: 27.315083 Å^3
• Polar Surface Area: 90.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.11
• LOG S: -2.3
• Polar Surface Area: 90.05 Å^2
• Rotatable Bonds: 2