2-[5-(propan-2-yl)pyrimidin-2-yl]ethan-1-amine

• ChemBase ID: 803867
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: C(Cc1ncc(cn1)C(C)C)N
• Canonical SMILES: NCCc1ncc(cn1)C(C)C
• InChI: InChI=1S/C9H15N3/c1-7(2)8-5-11-9(3-4-10)12-6-8/h5-7H,3-4,10H2,1-2H3
• InChIKey: SNNQUPRZANRTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(propan-2-yl)pyrimidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-(5-isopropylpyrimidin-2-yl)ethanamine
• Synonyms: 2-(5-ISOPROPYLPYRIMIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0726926
• LogD (pH = 7.4): -0.94261783
• Log P: 1.0639869
• Molar Refractivity: 49.5966 cm^3
• Polarizability: 19.118954 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%