[(2-ethylpyrimidin-5-yl)methyl](methyl)[3-(1H-pyrazol-1-yl)propyl]amine

• ChemBase ID: 694688
• Molecular Formular: C14H21N5
• Molecular Mass: 259.35004
• Monoisotopic Mass: 259.1796957
• SMILES: n1n(ccc1)CCCN(Cc1cnc(nc1)CC)C
• Canonical SMILES: CCc1ncc(cn1)CN(CCCn1cccn1)C
• InChI: InChI=1S/C14H21N5/c1-3-14-15-10-13(11-16-14)12-18(2)7-5-9-19-8-4-6-17-19/h4,6,8,10-11H,3,5,7,9,12H2,1-2H3
• InChIKey: WMJDHNMWDJBLDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylpyrimidin-5-yl)methyl](methyl)[3-(1H-pyrazol-1-yl)propyl]amine
• IUPAC Traditional name: [(2-ethylpyrimidin-5-yl)methyl](methyl)[3-(pyrazol-1-yl)propyl]amine
• Synonyms: N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3623254
• LogD (pH = 7.4): 0.42952242
• Log P: 1.3461834
• Molar Refractivity: 88.3741 cm^3
• Polarizability: 29.196983 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.72
• LOG S: -0.7
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 7