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

• ChemBase ID: 363447
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: n1n(c(cc1C)C)CCCN(c1cc(C2CC2)ncn1)C
• Canonical SMILES: Cc1nn(c(c1)C)CCCN(c1ncnc(c1)C1CC1)C
• InChI: InChI=1S/C16H23N5/c1-12-9-13(2)21(19-12)8-4-7-20(3)16-10-15(14-5-6-14)17-11-18-16/h9-11,14H,4-8H2,1-3H3
• InChIKey: LDVRTSPEDAZKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9457608
• LogD (pH = 7.4): 2.2774403
• Log P: 2.2838755
• Molar Refractivity: 97.0541 cm^3
• Polarizability: 31.601784 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.83
• LOG S: -4.11
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6