N-[(1R,3R)-3-aminocyclopentyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 833510
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C13H17N5O/c1-8-11(18-6-2-5-15-13(18)16-8)12(19)17-10-4-3-9(14)7-10/h2,5-6,9-10H,3-4,7,14H2,1H3,(H,17,19)/t9-,10-/m1/s1
• InChIKey: KIFJUFWVTKJQCD-NXEZZACHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.906592
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.297566
• LogD (pH = 7.4): -3.7483487
• Log P: -1.2787099
• Molar Refractivity: 72.9303 cm^3
• Polarizability: 27.036621 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.27
• LOG S: -2.17
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 2