N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine

• ChemBase ID: 817221
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n1c(c(c(nc1C)C)C)NCCCc1c([nH]nc1C)C
• Canonical SMILES: Cc1nc(NCCCc2c(C)[nH]nc2C)c(c(n1)C)C
• InChI: InChI=1S/C15H23N5/c1-9-10(2)17-13(5)18-15(9)16-8-6-7-14-11(3)19-20-12(14)4/h6-8H2,1-5H3,(H,19,20)(H,16,17,18)
• InChIKey: RQTPAQKUHNVDHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine
• IUPAC Traditional name: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.41042
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1386483
• LogD (pH = 7.4): 2.4047158
• Log P: 2.523018
• Molar Refractivity: 84.8839 cm^3
• Polarizability: 30.339647 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.33
• LOG S: -3.81
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 5