6-methyl-N-(oxan-4-ylmethyl)-2-(piperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 508761
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: c1(nc(cc(n1)C)NCC1CCOCC1)N1CCCCC1
• Canonical SMILES: Cc1cc(NCC2CCOCC2)nc(n1)N1CCCCC1
• InChI: InChI=1S/C16H26N4O/c1-13-11-15(17-12-14-5-9-21-10-6-14)19-16(18-13)20-7-3-2-4-8-20/h11,14H,2-10,12H2,1H3,(H,17,18,19)
• InChIKey: KBSVNDLGHRSWHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(oxan-4-ylmethyl)-2-(piperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-N-(oxan-4-ylmethyl)-2-(piperidin-1-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-piperidin-1-yl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.53374696
• LogD (pH = 7.4): 1.796913
• Log P: 2.3073242
• Molar Refractivity: 87.6312 cm^3
• Polarizability: 32.069748 Å^3
• Polar Surface Area: 50.28 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: 3.35
• LOG S: -4.18
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 4