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

• ChemBase ID: 456205
• Molecular Formular: C16H22N6O2S
• Molecular Mass: 362.44988
• Monoisotopic Mass: 362.15249497
• SMILES: S(=O)(=O)(N1Cc2c(c(nc(n2)N(C)C)N(C)C)CC1)c1cnccc1
• Canonical SMILES: CN(c1nc2CN(CCc2c(n1)N(C)C)S(=O)(=O)c1cccnc1)C
• InChI: InChI=1S/C16H22N6O2S/c1-20(2)15-13-7-9-22(11-14(13)18-16(19-15)21(3)4)25(23,24)12-6-5-8-17-10-12/h5-6,8,10H,7,9,11H2,1-4H3
• InChIKey: XYEYZRJJBJSRCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,N4,N4-tetramethyl-7-(pyridine-3-sulfonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,N4,N4-tetramethyl-7-(pyridine-3-sulfonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: N,N,N',N'-tetramethyl-7-(pyridin-3-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): 0.6909965
• LogD (pH = 7.4): 1.207404
• Log P: 1.2206107
• Molar Refractivity: 99.0334 cm^3
• Polarizability: 36.98544 Å^3
• Polar Surface Area: 82.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.01
• LOG S: -3.56
• Polar Surface Area: 82.53 Å^2
• Rotatable Bonds: 3