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

• ChemBase ID: 846193
• Molecular Formular: C13H23N5O2S
• Molecular Mass: 313.41902
• Monoisotopic Mass: 313.157246
• SMILES: n1c(c2c(nc1N(C)C)CN(S(=O)(=O)CC)CC2)N(C)C
• Canonical SMILES: CCS(=O)(=O)N1CCc2c(C1)nc(nc2N(C)C)N(C)C
• InChI: InChI=1S/C13H23N5O2S/c1-6-21(19,20)18-8-7-10-11(9-18)14-13(17(4)5)15-12(10)16(2)3/h6-9H2,1-5H3
• InChIKey: SPLMXZACKKFVRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.30292863
• LogD (pH = 7.4): 0.8195378
• Log P: 0.8327542
• Molar Refractivity: 85.9137 cm^3
• Polarizability: 32.014763 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.01
• LOG S: -3.2
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3