N,N,2-trimethyl-7-[(3-methylthiophen-2-yl)sulfonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 683609
• Molecular Formular: C15H20N4O2S2
• Molecular Mass: 352.4749
• Monoisotopic Mass: 352.1027679
• SMILES: S(=O)(=O)(c1c(ccs1)C)N1Cc2c(c(nc(n2)C)N(C)C)CC1
• Canonical SMILES: Cc1nc2CN(CCc2c(n1)N(C)C)S(=O)(=O)c1sccc1C
• InChI: InChI=1S/C15H20N4O2S2/c1-10-6-8-22-15(10)23(20,21)19-7-5-12-13(9-19)16-11(2)17-14(12)18(3)4/h6,8H,5,7,9H2,1-4H3
• InChIKey: QZFJHKAHHMIJAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-7-[(3-methylthiophen-2-yl)sulfonyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N,2-trimethyl-7-(3-methylthiophen-2-ylsulfonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N,2-trimethyl-7-[(3-methyl-2-thienyl)sulfonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4954083
• LogD (pH = 7.4): 2.6777735
• Log P: 2.680679
• Molar Refractivity: 92.747 cm^3
• Polarizability: 35.281906 Å^3
• Polar Surface Area: 66.4 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: 2.04
• LOG S: -3.51
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 2