2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 262156
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(nc(cc(n1)C)C)CCN
• Canonical SMILES: NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C8H13N3/c1-6-5-7(2)11-8(10-6)3-4-9/h5H,3-4,9H2,1-2H3
• InChIKey: JLCZNKONOKKWEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,6-dimethylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)ethanamine; 2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine

Database IDs

• CAS Number: 933720-41-3
• MDL Number: MFCD09971155
• PubChem SID: 164318066
• PubChem CID: 28063231

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8978293
• LogD (pH = 7.4): -1.7587979
• Log P: 0.23746565
• Molar Refractivity: 44.5888 cm^3
• Polarizability: 17.196537 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.023

Product Information

• Purity: 95%; 98%