2-tert-butylpyrimidine-4,5-diamine

• ChemBase ID: 804223
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: c1(c(nc(nc1)C(C)(C)C)N)N
• Canonical SMILES: Nc1cnc(nc1N)C(C)(C)C
• InChI: InChI=1S/C8H14N4/c1-8(2,3)7-11-4-5(9)6(10)12-7/h4H,9H2,1-3H3,(H2,10,11,12)
• InChIKey: ZKPUNCXNDMGFFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butylpyrimidine-4,5-diamine
• IUPAC Traditional name: 2-tert-butylpyrimidine-4,5-diamine
• Synonyms: 2-TERT-BUTYLPYRIMIDINE-4,5-DIAMINE

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.7017483
• LogD (pH = 7.4): 1.373297
• Log P: 1.3952175
• Molar Refractivity: 50.7634 cm^3
• Polarizability: 18.104794 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 2

PROPERTIES

Product Information

• Purity: 98%