2-(5-methylpyrimidin-2-yl)ethan-1-amine

• ChemBase ID: 244125
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1(ncc(cn1)C)CCN
• Canonical SMILES: NCCc1ncc(cn1)C
• InChI: InChI=1S/C7H11N3/c1-6-4-9-7(2-3-8)10-5-6/h4-5H,2-3,8H2,1H3
• InChIKey: UUTLAFKDTSDYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methylpyrimidin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-methylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-methylpyrimidin-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD10697250
• PubChem SID: 164300035
• PubChem CID: 63205736

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.801564
• LogD (pH = 7.4): -1.6748502
• Log P: 0.33581686
• Molar Refractivity: 40.447 cm^3
• Polarizability: 15.433747 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.522

Product Information

• Purity: 95%; 98%