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

• ChemBase ID: 834951
• Molecular Formular: C16H25N7O2S
• Molecular Mass: 379.4804
• Monoisotopic Mass: 379.17904408
• SMILES: c1(S(=O)(=O)N2Cc3c(c(nc(n3)N(C)C)N(C)C)CC2)nc(n(c1)C)C
• Canonical SMILES: CN(c1nc2CN(CCc2c(n1)N(C)C)S(=O)(=O)c1cn(c(n1)C)C)C
• InChI: InChI=1S/C16H25N7O2S/c1-11-17-14(10-22(11)6)26(24,25)23-8-7-12-13(9-23)18-16(21(4)5)19-15(12)20(2)3/h10H,7-9H2,1-6H3
• InChIKey: HGJCYRGCMIEOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-N2,N2,N4,N4-tetramethyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• IUPAC Traditional name: 7-(1,2-dimethylimidazol-4-ylsulfonyl)-N2,N2,N4,N4-tetramethyl-5H,6H,8H-pyrido[3,4-d]pyrimidine-2,4-diamine
• Synonyms: 7-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-N,N,N',N'-tetramethyl-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): 0.7282811
• LogD (pH = 7.4): 1.2477659
• Log P: 1.2610115
• Molar Refractivity: 103.796 cm^3
• Polarizability: 38.264843 Å^3
• Polar Surface Area: 87.46 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: 0.75
• LOG S: -2.61
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 3