N2,N2,5,6-tetramethyl-N4-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrimidine-2,4-diamine

• ChemBase ID: 375113
• Molecular Formular: C14H25N5O2S
• Molecular Mass: 327.4456
• Monoisotopic Mass: 327.17289607
• SMILES: S(=O)(=O)(N1CCCC1)CCNc1nc(nc(c1C)C)N(C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCCS(=O)(=O)N1CCCC1)N(C)C
• InChI: InChI=1S/C14H25N5O2S/c1-11-12(2)16-14(18(3)4)17-13(11)15-7-10-22(20,21)19-8-5-6-9-19/h5-10H2,1-4H3,(H,15,16,17)
• InChIKey: GQWLDZWAHGDOIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,5,6-tetramethyl-N4-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,5,6-tetramethyl-N4-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.85887676
• LogD (pH = 7.4): 0.454444
• Log P: 0.8471569
• Molar Refractivity: 90.793 cm^3
• Polarizability: 33.703568 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.73
• LOG S: -3.92
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 5