4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-6-(morpholin-4-yl)pyrimidin-2-amine

• ChemBase ID: 836871
• Molecular Formular: C15H21N7O
• Molecular Mass: 315.37354
• Monoisotopic Mass: 315.18075833
• SMILES: c12n(nc(c1)C)CCN(c1nc(nc(c1)N1CCOCC1)N)C2
• Canonical SMILES: Nc1nc(cc(n1)N1CCOCC1)N1CCn2c(C1)cc(n2)C
• InChI: InChI=1S/C15H21N7O/c1-11-8-12-10-21(2-3-22(12)19-11)14-9-13(17-15(16)18-14)20-4-6-23-7-5-20/h8-9H,2-7,10H2,1H3,(H2,16,17,18)
• InChIKey: DKEHNUOISNRTCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-6-(morpholin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-{2-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}-6-(morpholin-4-yl)pyrimidin-2-amine
• Synonyms: 4-(2-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)-6-morpholin-4-ylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.012533
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.08590137
• LogD (pH = 7.4): 1.0305854
• Log P: 1.1182774
• Molar Refractivity: 101.9434 cm^3
• Polarizability: 32.200123 Å^3
• Polar Surface Area: 85.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.33
• LOG S: -2.64
• Polar Surface Area: 85.33 Å^2
• Rotatable Bonds: 2