1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

• ChemBase ID: 286397
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c1(N2CCC(CC2)N)cc(ncn1)CC
• Canonical SMILES: CCc1ncnc(c1)N1CCC(CC1)N
• InChI: InChI=1S/C11H18N4/c1-2-10-7-11(14-8-13-10)15-5-3-9(12)4-6-15/h7-9H,2-6,12H2,1H3
• InChIKey: DKOJTHRCRZCOTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
• Synonyms: 1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD14602990
• PubChem SID: 180671928
• PubChem CID: 61235863

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6891558
• LogD (pH = 7.4): -1.7005143
• Log P: 0.79532063
• Molar Refractivity: 62.0646 cm^3
• Polarizability: 23.28208 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.308

Product Information

• Purity: 95%