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

• ChemBase ID: 803873
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: C(Cc1cnc(nc1)C)N
• Canonical SMILES: NCCc1cnc(nc1)C
• InChI: InChI=1S/C7H11N3/c1-6-9-4-7(2-3-8)5-10-6/h4-5H,2-3,8H2,1H3
• InChIKey: WIDJVWIWZPDPQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2041526
• LogD (pH = 7.4): -2.2460935
• Log P: -0.038853496
• Molar Refractivity: 40.5751 cm^3
• Polarizability: 15.433125 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%