4-cyclobutyl-6-methyl-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-2-amine

• ChemBase ID: 327507
• Molecular Formular: C15H24N4
• Molecular Mass: 260.37786
• Monoisotopic Mass: 260.20009679
• SMILES: c1(nc(cc(n1)C)C1CCC1)NCCN1CCCC1
• Canonical SMILES: Cc1nc(NCCN2CCCC2)nc(c1)C1CCC1
• InChI: InChI=1S/C15H24N4/c1-12-11-14(13-5-4-6-13)18-15(17-12)16-7-10-19-8-2-3-9-19/h11,13H,2-10H2,1H3,(H,16,17,18)
• InChIKey: XAGOSLUHPLGINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutyl-6-methyl-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-2-amine
• IUPAC Traditional name: 4-cyclobutyl-6-methyl-N-[2-(pyrrolidin-1-yl)ethyl]pyrimidin-2-amine
• Synonyms: 4-cyclobutyl-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.534662
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8313518
• LogD (pH = 7.4): 0.91066706
• Log P: 2.1128469
• Molar Refractivity: 79.6054 cm^3
• Polarizability: 29.848082 Å^3
• Polar Surface Area: 41.05 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: 2.92
• LOG S: -2.58
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5