6-(propan-2-yl)pyrimidin-4-amine

• ChemBase ID: 309226
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1c(ncnc1N)C(C)C
• Canonical SMILES: CC(c1ncnc(c1)N)C
• InChI: InChI=1S/C7H11N3/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3,(H2,8,9,10)
• InChIKey: ZVKFQZPWQXBUOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(propan-2-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-isopropylpyrimidin-4-amine
• Synonyms: 4-AMINO-6-(ISO-PROPYL)PYRIMIDINE; 6-isopropyl-4-pyrimidinamine

Database IDs

• CAS Number: 1159818-06-0
• MDL Number: MFCD09909800

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.686752
• LogD (pH = 7.4): 1.1780663
• Log P: 1.1901593
• Molar Refractivity: 41.5291 cm^3
• Polarizability: 15.117772 Å^3
• Polar Surface Area: 51.8 Å^2

PROPERTIES

Product Information

• Purity: 98%