N,6-dimethyl-2-(piperidin-1-yl)pyrimidin-4-amine

• ChemBase ID: 114589
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c1(nc(cc(n1)C)NC)N1CCCCC1
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCCCC1
• InChI: InChI=1S/C11H18N4/c1-9-8-10(12-2)14-11(13-9)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3,(H,12,13,14)
• InChIKey: OMNBCGFKMQLBSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(piperidin-1-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(piperidin-1-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-piperidin-1-ylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD16691291
• PubChem SID: 162099547
• PubChem CID: 56828610

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1029019
• LogD (pH = 7.4): 1.3550946
• Log P: 1.8855373
• Molar Refractivity: 64.3377 cm^3
• Polarizability: 22.895702 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.134

Product Information

• Purity: 95+%