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

• ChemBase ID: 688421
• Molecular Formular: C15H21N5
• Molecular Mass: 271.36074
• Monoisotopic Mass: 271.1796957
• SMILES: c1(n(ncc1)CCCNc1nc(cc(n1)C)C)C1CC1
• Canonical SMILES: Cc1cc(C)nc(n1)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C15H21N5/c1-11-10-12(2)19-15(18-11)16-7-3-9-20-14(6-8-17-20)13-4-5-13/h6,8,10,13H,3-5,7,9H2,1-2H3,(H,16,18,19)
• InChIKey: RPNRRPIGBWKCOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 92.246 cm^3
• Polarizability: 29.768091 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 16.171265
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2042484
• LogD (pH = 7.4): 1.374237
• Log P: 1.3769113

供应商提供(Chembridge)

• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1
• Log P: 2.71
• LOG S: -3.49