6-(morpholin-4-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]pyrimidin-4-amine

• ChemBase ID: 747947
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c1(cc(ncn1)NC(Cc1nccnc1)C)N1CCOCC1
• Canonical SMILES: CC(Cc1nccnc1)Nc1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C15H20N6O/c1-12(8-13-10-16-2-3-17-13)20-14-9-15(19-11-18-14)21-4-6-22-7-5-21/h2-3,9-12H,4-8H2,1H3,(H,18,19,20)
• InChIKey: WXTKEJPZPBMORC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)-N-[1-(pyrazin-2-yl)propan-2-yl]pyrimidin-4-amine
• Synonyms: N-(1-methyl-2-pyrazin-2-ylethyl)-6-morpholin-4-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.82505
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.7577175
• LogD (pH = 7.4): 0.4841762
• Log P: 0.62516
• Molar Refractivity: 85.941 cm^3
• Polarizability: 31.407688 Å^3
• Polar Surface Area: 76.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.01
• LOG S: -2.25
• Polar Surface Area: 76.06 Å^2
• Rotatable Bonds: 5