2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 114599
• Molecular Formular: C13H22N4
• Molecular Mass: 234.34058
• Monoisotopic Mass: 234.18444672
• SMILES: c1(nc(cc(n1)C)NC)N1CC(CC(C1)C)C
• Canonical SMILES: CNc1cc(C)nc(n1)N1CC(C)CC(C1)C
• InChI: InChI=1S/C13H22N4/c1-9-5-10(2)8-17(7-9)13-15-11(3)6-12(14-4)16-13/h6,9-10H,5,7-8H2,1-4H3,(H,14,15,16)
• InChIKey: JNDLNSYUYIZWDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine
• Synonyms: 2-(3,5-dimethylpiperidin-1-yl)-N,6-dimethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091726
• PubChem SID: 162099628
• PubChem CID: 56724753

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.83449423
• LogD (pH = 7.4): 2.0887802
• Log P: 2.615483
• Molar Refractivity: 73.2809 cm^3
• Polarizability: 26.57851 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.85

Product Information

• Purity: 95+%