N-methyl-2-(2,3,4-trimethoxyphenyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

• ChemBase ID: 314493
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(c2c(c(c(cc2)OC)OC)OC)nc(c2c(n1)CCC2)NC
• Canonical SMILES: COc1ccc(c(c1OC)OC)c1nc(NC)c2c(n1)CCC2
• InChI: InChI=1S/C17H21N3O3/c1-18-16-10-6-5-7-12(10)19-17(20-16)11-8-9-13(21-2)15(23-4)14(11)22-3/h8-9H,5-7H2,1-4H3,(H,18,19,20)
• InChIKey: JUPFDJVKNUBCHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2,3,4-trimethoxyphenyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• IUPAC Traditional name: N-methyl-2-(2,3,4-trimethoxyphenyl)-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• Synonyms: N-methyl-2-(2,3,4-trimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.723539
• LogD (pH = 7.4): 2.869643
• Log P: 2.8718681
• Molar Refractivity: 100.4877 cm^3
• Polarizability: 33.9902 Å^3
• Polar Surface Area: 65.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.5
• LOG S: -3.64
• Polar Surface Area: 65.5 Å^2
• Rotatable Bonds: 5