3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide

• ChemBase ID: 573302
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: n1c(nccc1C1CCCC1)NCC(C(=O)NC)C
• Canonical SMILES: CNC(=O)C(CNc1nccc(n1)C1CCCC1)C
• InChI: InChI=1S/C14H22N4O/c1-10(13(19)15-2)9-17-14-16-8-7-12(18-14)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,19)(H,16,17,18)
• InChIKey: UUKQPBDFJWUTPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
• IUPAC Traditional name: 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide
• Synonyms: 3-[(4-cyclopentylpyrimidin-2-yl)amino]-N,2-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.119878
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6622567
• LogD (pH = 7.4): 1.676139
• Log P: 1.6763191
• Molar Refractivity: 76.1322 cm^3
• Polarizability: 28.499163 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: 1.56
• LOG S: -2.45
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 5