2-(propan-2-yl)pyrimidine-4,5-diamine

• ChemBase ID: 801836
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c1(c(nc(nc1)C(C)C)N)N
• Canonical SMILES: CC(c1ncc(c(n1)N)N)C
• InChI: InChI=1S/C7H12N4/c1-4(2)7-10-3-5(8)6(9)11-7/h3-4H,8H2,1-2H3,(H2,9,10,11)
• InChIKey: DZKXVVCUOXSYHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)pyrimidine-4,5-diamine
• IUPAC Traditional name: 2-isopropylpyrimidine-4,5-diamine
• Synonyms: 2-ISOPROPYLPYRIMIDINE-4,5-DIAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.023505714
• LogD (pH = 7.4): 0.7728858
• Log P: 0.8053034
• Molar Refractivity: 46.2624 cm^3
• Polarizability: 16.267132 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%