2-chloro-N,N-dimethylpyrimidin-5-amine

• ChemBase ID: 802195
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: c1(cnc(nc1)Cl)N(C)C
• Canonical SMILES: CN(c1cnc(nc1)Cl)C
• InChI: InChI=1S/C6H8ClN3/c1-10(2)5-3-8-6(7)9-4-5/h3-4H,1-2H3
• InChIKey: UGMFXGYBXGJBOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-dimethylpyrimidin-5-amine
• IUPAC Traditional name: 2-chloro-N,N-dimethylpyrimidin-5-amine
• Synonyms: 2-CHLORO-N,N-DIMETHYLPYRIMIDIN-5-AMINE

Database IDs

• CAS Number: 62802-43-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0663295
• LogD (pH = 7.4): 1.0663296
• Log P: 1.0663297
• Molar Refractivity: 42.6495 cm^3
• Polarizability: 15.380067 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%