N-{1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}cyclohexanamine

• ChemBase ID: 758463
• Molecular Formular: C18H24N4
• Molecular Mass: 296.40996
• Monoisotopic Mass: 296.20009679
• SMILES: n1c(ncc(c1C)C(NC1CCCCC1)C)c1ccncc1
• Canonical SMILES: CC(c1cnc(nc1C)c1ccncc1)NC1CCCCC1
• InChI: InChI=1S/C18H24N4/c1-13(21-16-6-4-3-5-7-16)17-12-20-18(22-14(17)2)15-8-10-19-11-9-15/h8-13,16,21H,3-7H2,1-2H3
• InChIKey: MLYJAHMWLJYWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}cyclohexanamine
• IUPAC Traditional name: N-{1-[4-methyl-2-(pyridin-4-yl)pyrimidin-5-yl]ethyl}cyclohexanamine
• Synonyms: N-{1-[4-methyl-2-(4-pyridinyl)-5-pyrimidinyl]ethyl}cyclohexanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2883356
• LogD (pH = 7.4): 0.89474475
• Log P: 2.9960442
• Molar Refractivity: 99.249 cm^3
• Polarizability: 35.241417 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.56
• LOG S: -3.54
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 4