2-(2-methylpropyl)pyrimidin-5-amine

• ChemBase ID: 803770
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1(cnc(nc1)CC(C)C)N
• Canonical SMILES: CC(Cc1ncc(cn1)N)C
• InChI: InChI=1S/C8H13N3/c1-6(2)3-8-10-4-7(9)5-11-8/h4-6H,3,9H2,1-2H3
• InChIKey: AEDXQYHVFVEMBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)pyrimidin-5-amine
• IUPAC Traditional name: 2-(2-methylpropyl)pyrimidin-5-amine
• Synonyms: 2-(2-METHYLPROPYL)PYRIMIDIN-5-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1506674
• LogD (pH = 7.4): 1.1511437
• Log P: 1.1511497
• Molar Refractivity: 45.8236 cm^3
• Polarizability: 16.965754 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%