2,6-di-tert-butylpyrimidin-4-amine

• ChemBase ID: 240871
• Molecular Formular: C12H21N3
• Molecular Mass: 207.31524
• Monoisotopic Mass: 207.17354769
• SMILES: c1(nc(cc(n1)C(C)(C)C)N)C(C)(C)C
• Canonical SMILES: Nc1cc(nc(n1)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C12H21N3/c1-11(2,3)8-7-9(13)15-10(14-8)12(4,5)6/h7H,1-6H3,(H2,13,14,15)
• InChIKey: BOVPBWMWRQMJNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-di-tert-butylpyrimidin-4-amine
• IUPAC Traditional name: 2,6-di-tert-butylpyrimidin-4-amine
• Synonyms: 2,6-di-tert-butylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD03861183
• PubChem SID: 164296781
• PubChem CID: 12464372

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.367535
• LogD (pH = 7.4): 4.124724
• Log P: 4.152204
• Molar Refractivity: 64.3569 cm^3
• Polarizability: 24.252285 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.328

Product Information

• Purity: 95%