5,7-dimethyl-4-{8-methyl-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrido[2,3-d]pyrimidine

• ChemBase ID: 720680
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: c12c(N3CC4N(CC3)CCN(C4)C)ncnc1nc(cc2C)C
• Canonical SMILES: CN1CCN2C(C1)CN(CC2)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H24N6/c1-12-8-13(2)20-16-15(12)17(19-11-18-16)23-7-6-22-5-4-21(3)9-14(22)10-23/h8,11,14H,4-7,9-10H2,1-3H3
• InChIKey: MJUFOPMTNROFQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-4-{8-methyl-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrido[2,3-d]pyrimidine
• IUPAC Traditional name: 5,7-dimethyl-4-{8-methyl-hexahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrido[2,3-d]pyrimidine
• Synonyms: 5,7-dimethyl-4-(8-methyloctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.86001253
• LogD (pH = 7.4): 0.9078855
• Log P: 1.6336938
• Molar Refractivity: 94.3616 cm^3
• Polarizability: 35.48038 Å^3
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.27
• LOG S: -0.7
• Polar Surface Area: 48.39 Å^2
• Rotatable Bonds: 1