[5-(propan-2-yl)pyrimidin-2-yl]methanamine

• ChemBase ID: 803831
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: C(N)c1ncc(cn1)C(C)C
• Canonical SMILES: NCc1ncc(cn1)C(C)C
• InChI: InChI=1S/C8H13N3/c1-6(2)7-4-10-8(3-9)11-5-7/h4-6H,3,9H2,1-2H3
• InChIKey: YLKFSDBNPARCCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(propan-2-yl)pyrimidin-2-yl]methanamine
• IUPAC Traditional name: (5-isopropylpyrimidin-2-yl)methanamine
• Synonyms: (5-ISOPROPYLPYRIMIDIN-2-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3314689
• LogD (pH = 7.4): 0.3656184
• Log P: 0.8732065
• Molar Refractivity: 44.8972 cm^3
• Polarizability: 17.351454 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%