N2,N2-dimethyl-6-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine

• ChemBase ID: 503551
• Molecular Formular: C17H30N6
• Molecular Mass: 318.4603
• Monoisotopic Mass: 318.25319499
• SMILES: n1c(nc(cc1N1CCC(CN2CCCCC2)CC1)N)N(C)C
• Canonical SMILES: Nc1cc(nc(n1)N(C)C)N1CCC(CC1)CN1CCCCC1
• InChI: InChI=1S/C17H30N6/c1-21(2)17-19-15(18)12-16(20-17)23-10-6-14(7-11-23)13-22-8-4-3-5-9-22/h12,14H,3-11,13H2,1-2H3,(H2,18,19,20)
• InChIKey: JFPDBSHAUKYDBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2-dimethyl-6-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2-dimethyl-6-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~-dimethyl-6-[4-(1-piperidinylmethyl)-1-piperidinyl]-2,4-pyrimidinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.0632427
• LogD (pH = 7.4): -0.23195924
• Log P: 2.6423714
• Molar Refractivity: 99.264 cm^3
• Polarizability: 35.957027 Å^3
• Polar Surface Area: 61.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.46
• LOG S: -3.47
• Polar Surface Area: 61.52 Å^2
• Rotatable Bonds: 4