N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 592595
• Molecular Formular: C15H23N5O3S
• Molecular Mass: 353.43982
• Monoisotopic Mass: 353.15216062
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC1CN(S(=O)(=O)C)CCO1)C
• Canonical SMILES: Cc1cc(NCC2OCCN(C2)S(=O)(=O)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H23N5O3S/c1-10-7-14(20-15(17-10)11(2)12(3)18-20)16-8-13-9-19(5-6-23-13)24(4,21)22/h7,13,16H,5-6,8-9H2,1-4H3
• InChIKey: LAGCNBPIEWAGRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(4-methanesulfonylmorpholin-2-yl)methyl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3,5-trimethyl-N-{[4-(methylsulfonyl)-2-morpholinyl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.42727944
• LogD (pH = 7.4): -0.42695636
• Log P: -0.4269522
• Molar Refractivity: 102.0809 cm^3
• Polarizability: 35.21725 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.03
• LOG S: -2.66
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 3