2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-(propan-2-yl)acetamide

• ChemBase ID: 842624
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: n1c(nccc1C1CCCC1)NCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CNc1nccc(n1)C1CCCC1)C
• InChI: InChI=1S/C14H22N4O/c1-10(2)17-13(19)9-16-14-15-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,19)(H,15,16,18)
• InChIKey: FCCYHRPDBVBFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-[(4-cyclopentylpyrimidin-2-yl)amino]-N-isopropylacetamide
• Synonyms: N~2~-(4-cyclopentylpyrimidin-2-yl)-N~1~-isopropylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.893704
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6581172
• LogD (pH = 7.4): 1.6695536
• Log P: 1.6697031
• Molar Refractivity: 76.0257 cm^3
• Polarizability: 28.498976 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.93
• LOG S: -2.76
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5