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

• ChemBase ID: 466718
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: c12c(nc(nc1CN(C(=O)c1cc(c(c(c1)OC)OC)OC)CC2)C)N(C)C
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)N1CCc2c(C1)nc(nc2N(C)C)C
• InChI: InChI=1S/C20H26N4O4/c1-12-21-15-11-24(8-7-14(15)19(22-12)23(2)3)20(25)13-9-16(26-4)18(28-6)17(10-13)27-5/h9-10H,7-8,11H2,1-6H3
• InChIKey: FQXNBLDUUKSVAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-7-(3,4,5-trimethoxybenzoyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,N,2-trimethyl-7-(3,4,5-trimethoxybenzoyl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N,N,2-trimethyl-7-(3,4,5-trimethoxybenzoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.7669393
• LogD (pH = 7.4): 1.9578592
• Log P: 1.9609346
• Molar Refractivity: 107.7502 cm^3
• Polarizability: 39.935287 Å^3
• Polar Surface Area: 77.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.32
• LOG S: -4.0
• Polar Surface Area: 77.02 Å^2
• Rotatable Bonds: 5