N2,N2,N4,N4-tetramethyl-7-(pyrrolidine-1-sulfonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine

• ChemBase ID: 837252
• Molecular Formular: C15H26N6O2S
• Molecular Mass: 354.47094
• Monoisotopic Mass: 354.1837951
• SMILES: S(=O)(=O)(N1Cc2c(c(nc(n2)N(C)C)N(C)C)CC1)N1CCCC1
• Canonical SMILES: CN(c1nc2CN(CCc2c(n1)N(C)C)S(=O)(=O)N1CCCC1)C
• InChI: InChI=1S/C15H26N6O2S/c1-18(2)14-12-7-10-21(24(22,23)20-8-5-6-9-20)11-13(12)16-15(17-14)19(3)4/h5-11H2,1-4H3
• InChIKey: ZRSKZITWLSQCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,N4,N4-tetramethyl-7-(pyrrolidine-1-sulfonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,N4,N4-tetramethyl-7-(pyrrolidine-1-sulfonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N,N,N',N'-tetramethyl-7-(pyrrolidin-1-ylsulfonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.19189687
• LogD (pH = 7.4): 0.7076739
• Log P: 0.72085226
• Molar Refractivity: 97.1504 cm^3
• Polarizability: 36.492523 Å^3
• Polar Surface Area: 72.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.42
• LOG S: -2.14
• Polar Surface Area: 72.88 Å^2
• Rotatable Bonds: 2