2,6-Diaminopurine

The 2,6-Diaminopurine is an organic compound with the formula C₅H₆N₆. The IUPAC name of this chemical is 7H-purine-2,6-diamine. With the CAS registry number 1904-98-9, it is also named as 1H-Purine-2,6-diamine. The product's categories are Amineprimary; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Purine; Amines; Purines; Amine Monomers; Monomers; Primary Amines. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.

Physical properties about 2,6-Diaminopurine are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.453; (5)ACD/KOC (pH 7.4): 16.223; (6)#H bond acceptors: 6; (7)#H bond donors: 5; (8)Polar Surface Area: 106.5 Å²; (9)Index of Refraction: 1.94; (10)Molar Refractivity: 41.275 cm³; (11)Molar Volume: 86.103 cm³; (12)Polarizability: 16.363×10^-24cm³; (13)Surface Tension: 157.072 dyne/cm; (14)Density: 1.744 g/cm³; (15)Flash Point: 447.815 °C; (16)Enthalpy of Vaporization: 109.175 kJ/mol; (17)Boiling Point: 748.992 °C at 760 mmHg.

Preparation: this chemical can be prepared by 2,6-Diaminopurine hemisulfate. This reaction will need reagent Dowex 50X8 (H-form) and solvent H₂O. The yield is about 92%.

Uses of 2,6-Diaminopurine: it can be used to produce 9-(2,2-diethoxy-ethyl)-9H-purine-2,6-diamine at temperature of 100 °C.  It will need solvent dimethylformamide with reaction time of 10 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It has limited evidence of a carcinogenic effect. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, do not breathe dust and take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1[nH]c2c(nc(nc2n1)N)N
(2)InChI: InChI=1/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
(3)InChIKey: MSSXOMSJDRHRMC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
(5)Std. InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N

The toxicity data is as follows: