(2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-4-methylpentanamide

• ChemBase ID: 463947
• Molecular Formular: C15H24N4O
• Molecular Mass: 276.37726
• Monoisotopic Mass: 276.19501141
• SMILES: c1(nc(C2CCCC2)ccn1)N[C@H](C(=O)N)CC(C)C
• Canonical SMILES: CC(C[C@@H](C(=O)N)Nc1nccc(n1)C1CCCC1)C
• InChI: InChI=1S/C15H24N4O/c1-10(2)9-13(14(16)20)19-15-17-8-7-12(18-15)11-5-3-4-6-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H2,16,20)(H,17,18,19)/t13-/m0/s1
• InChIKey: FLDURHWXUNUMHR-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-4-methylpentanamide
• IUPAC Traditional name: (2S)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-4-methylpentanamide
• Synonyms: N~2~-(4-cyclopentylpyrimidin-2-yl)-L-leucinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.229068
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4847374
• LogD (pH = 7.4): 2.495374
• Log P: 2.4955184
• Molar Refractivity: 80.1291 cm^3
• Polarizability: 30.337946 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.62
• LOG S: -3.45
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 6