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

• ChemBase ID: 602911
• Molecular Formular: C13H17N5
• Molecular Mass: 243.30758
• Monoisotopic Mass: 243.14839557
• SMILES: c1(nc(cc(n1)C)C)NC(Cc1nccnc1)C
• Canonical SMILES: CC(Nc1nc(C)cc(n1)C)Cc1cnccn1
• InChI: InChI=1S/C13H17N5/c1-9-6-10(2)17-13(16-9)18-11(3)7-12-8-14-4-5-15-12/h4-6,8,11H,7H2,1-3H3,(H,16,17,18)
• InChIKey: OCNBYUSZHNTGDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -2.21
• Polar Surface Area: 63.59 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.460744
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.32713854
• LogD (pH = 7.4): 0.4857669
• Log P: 0.48822784
• Molar Refractivity: 70.9399 cm^3
• Polarizability: 26.454214 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 4