5-Chloro-2,4-Pyrimidinediamine
[CAS 18620-64-9]

Identification

• Name: 5-Chloro-2,4-Pyrimidinediamine
• Synonyms: 2,4-Pyrimidinediamine, 5-chloro-; 5-chloro-2,4-diaminopyrimidine
• Molecular Formula: C₄H₅ClN₄
• Molecular Weight: 144.56
• CAS Registry Number: 18620-64-9
• SMILES: C1=C(C(=NC(=N1)N)N)Cl
• InChI: 1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
• InChIKey: ZXPMVKXDIBNUKN-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 396.4±45.0°C at 760 mmHg (Cal.)
• Flash point: 193.6±28.7°C (Cal.)
• Refractive index: 1.702 (Cal.)

References

• (1): Keith S. Learn, Jason C. Wagner, Mark S. Albom, Thelma S. Angeles, Zeqi Huang, Arup K. Ghose, Weihua Wan, Mangeng Cheng, Bruce D. Dorsey and Gregory R. Ott. Design of 7-amino-6-chloro-3H-imidazo[4,5-b]pyridine scaffold from 5-chloro-2,4-diaminopyrimidine pharmacophore: identification of potent inhibitors of anaplastic lymphoma kinase, Med. Chem. Commun., 2012, 3, 1138.