N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-4-amine

• ChemBase ID: 659573
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: n1(nc(cc1C)C)CC1(CC1)CNc1ncncc1
• Canonical SMILES: Cc1nn(c(c1)C)CC1(CC1)CNc1ccncn1
• InChI: InChI=1S/C14H19N5/c1-11-7-12(2)19(18-11)9-14(4-5-14)8-16-13-3-6-15-10-17-13/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,15,16,17)
• InChIKey: LCZZWQDVYJHDHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-4-amine
• IUPAC Traditional name: N-({1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-4-amine
• Synonyms: N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0077841
• LogD (pH = 7.4): 1.241359
• Log P: 1.2453926
• Molar Refractivity: 87.7857 cm^3
• Polarizability: 28.000095 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.97
• LOG S: -2.94
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5