2,4,5-trimethyl-6-{8-methyl-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrimidine

• ChemBase ID: 595596
• Molecular Formular: C15H25N5
• Molecular Mass: 275.3925
• Monoisotopic Mass: 275.21099583
• SMILES: c1(N2CC3N(CC2)CCN(C3)C)c(c(nc(n1)C)C)C
• Canonical SMILES: CN1CCN2C(C1)CN(CC2)c1nc(C)nc(c1C)C
• InChI: InChI=1S/C15H25N5/c1-11-12(2)16-13(3)17-15(11)20-8-7-19-6-5-18(4)9-14(19)10-20/h14H,5-10H2,1-4H3
• InChIKey: PDAGTAXHIKHDOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,5-trimethyl-6-{8-methyl-octahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrimidine
• IUPAC Traditional name: 2,4,5-trimethyl-6-{8-methyl-hexahydro-1H-pyrazino[1,2-a]piperazin-2-yl}pyrimidine
• Synonyms: 2-methyl-8-(2,5,6-trimethylpyrimidin-4-yl)octahydro-2H-pyrazino[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.7917517
• LogD (pH = 7.4): 1.0705
• Log P: 1.7994308
• Molar Refractivity: 83.4919 cm^3
• Polarizability: 31.294918 Å^3
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.7
• LOG S: -0.93
• Polar Surface Area: 35.5 Å^2
• Rotatable Bonds: 1