1-(4-cyclobutyl-6-methylpyrimidin-2-yl)pyrrolidin-3-amine

• ChemBase ID: 532881
• Molecular Formular: C13H20N4
• Molecular Mass: 232.3247
• Monoisotopic Mass: 232.16879666
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CC(CC1)N
• Canonical SMILES: NC1CCN(C1)c1nc(cc(n1)C)C1CCC1
• InChI: InChI=1S/C13H20N4/c1-9-7-12(10-3-2-4-10)16-13(15-9)17-6-5-11(14)8-17/h7,10-11H,2-6,8,14H2,1H3
• InChIKey: IERLVDRURRWREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)pyrrolidin-3-amine
• IUPAC Traditional name: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)pyrrolidin-3-amine
• Synonyms: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.538386
• LogD (pH = 7.4): -0.8572861
• Log P: 1.4748886
• Molar Refractivity: 68.7965 cm^3
• Polarizability: 26.162306 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.14
• LOG S: -1.72
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2