N-{1-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl}acetamide

• ChemBase ID: 473637
• Molecular Formular: C14H22N6O2
• Molecular Mass: 306.36348
• Monoisotopic Mass: 306.18042397
• SMILES: n1c(N2CC(NC(=O)C)CC2)cc(nc1N)N1CCOCC1
• Canonical SMILES: CC(=O)NC1CCN(C1)c1cc(nc(n1)N)N1CCOCC1
• InChI: InChI=1S/C14H22N6O2/c1-10(21)16-11-2-3-20(9-11)13-8-12(17-14(15)18-13)19-4-6-22-7-5-19/h8,11H,2-7,9H2,1H3,(H,16,21)(H2,15,17,18)
• InChIKey: KDGPBMORCYTKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl}acetamide
• IUPAC Traditional name: N-{1-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl}acetamide
• Synonyms: N-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.231169
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -1.1917461
• LogD (pH = 7.4): -0.04246156
• Log P: 0.05616251
• Molar Refractivity: 85.8876 cm^3
• Polarizability: 30.876213 Å^3
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.26
• LOG S: -2.96
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 3