1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-amine

• ChemBase ID: 271343
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c1(nc(nc(c1)C)C)N1CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1cc(C)nc(n1)C
• InChI: InChI=1S/C11H18N4/c1-8-6-11(14-9(2)13-8)15-5-3-4-10(12)7-15/h6,10H,3-5,7,12H2,1-2H3
• InChIKey: JDXUDOOOELZRMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14617973
• PubChem SID: 164327253
• PubChem CID: 50987746

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4170141
• LogD (pH = 7.4): -1.3198373
• Log P: 1.2210246
• Molar Refractivity: 61.8413 cm^3
• Polarizability: 23.20576 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.01

Product Information

• Purity: 95%