6-ethyl-N-[3-(trimethyl-1H-pyrazol-1-yl)propyl]pyrimidin-4-amine

• ChemBase ID: 396288
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n1n(c(c(c1C)C)C)CCCNc1ncnc(c1)CC
• Canonical SMILES: CCc1ncnc(c1)NCCCn1nc(c(c1C)C)C
• InChI: InChI=1S/C15H23N5/c1-5-14-9-15(18-10-17-14)16-7-6-8-20-13(4)11(2)12(3)19-20/h9-10H,5-8H2,1-4H3,(H,16,17,18)
• InChIKey: XIPUVNJAHDBMEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N-[3-(trimethyl-1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-ethyl-N-[3-(trimethylpyrazol-1-yl)propyl]pyrimidin-4-amine
• Synonyms: 6-ethyl-N-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5385484
• LogD (pH = 7.4): 2.0690067
• Log P: 2.0827706
• Molar Refractivity: 95.0882 cm^3
• Polarizability: 30.411985 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -3.93
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6