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

• ChemBase ID: 573139
• Molecular Formular: C15H21N5
• Molecular Mass: 271.36074
• Monoisotopic Mass: 271.1796957
• SMILES: c1(nc(nc(c1)C)CCC)NC(Cc1nccnc1)C
• Canonical SMILES: CCCc1nc(NC(Cc2cnccn2)C)cc(n1)C
• InChI: InChI=1S/C15H21N5/c1-4-5-14-18-12(3)9-15(20-14)19-11(2)8-13-10-16-6-7-17-13/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19,20)
• InChIKey: PBMSSJNHQKFXCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6537483
• LogD (pH = 7.4): 1.909035
• Log P: 2.0263395
• Molar Refractivity: 80.5682 cm^3
• Polarizability: 30.132647 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.51
• LOG S: -3.32
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 6