4-cyclopentyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine

• ChemBase ID: 458892
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: n1[nH]c(c(c1C)CCNc1nc(C2CCCC2)ccn1)C
• Canonical SMILES: Cc1[nH]nc(c1CCNc1nccc(n1)C1CCCC1)C
• InChI: InChI=1S/C16H23N5/c1-11-14(12(2)21-20-11)7-9-17-16-18-10-8-15(19-16)13-5-3-4-6-13/h8,10,13H,3-7,9H2,1-2H3,(H,20,21)(H,17,18,19)
• InChIKey: BJAZPEBRBNAXIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
• IUPAC Traditional name: 4-cyclopentyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
• Synonyms: 4-cyclopentyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.680395
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.631989
• LogD (pH = 7.4): 2.649625
• Log P: 2.6498532
• Molar Refractivity: 86.851 cm^3
• Polarizability: 31.608427 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: 3.39
• LOG S: -4.18
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 5