5-methyl-N-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 333343
• Molecular Formular: C12H17N5O
• Molecular Mass: 247.29628
• Monoisotopic Mass: 247.14331019
• SMILES: n12c(nc(cc1NCC1OCCNC1)C)ccn2
• Canonical SMILES: Cc1cc(NCC2CNCCO2)n2c(n1)ccn2
• InChI: InChI=1S/C12H17N5O/c1-9-6-12(17-11(16-9)2-3-15-17)14-8-10-7-13-4-5-18-10/h2-3,6,10,13-14H,4-5,7-8H2,1H3
• InChIKey: DQQQWIYQTWQGEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-(morpholin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-(2-morpholinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8420506
• LogD (pH = 7.4): -1.1245297
• Log P: -0.17672487
• Molar Refractivity: 79.2813 cm^3
• Polarizability: 25.996735 Å^3
• Polar Surface Area: 63.48 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: -0.25
• LOG S: 0.22
• Polar Surface Area: 63.48 Å^2
• Rotatable Bonds: 3