2,4-DIAMINO-PYRIMIDINE-5-CARBALDEHYDE

The 5-Pyrimidinecarboxaldehyde,2,4-diamino-, with CAS registry number 20781-06-0, belongs to the following product categories: (1)Pyrimidine; (2)Building Blocks. It has the systematic name of 2,4-diaminopyrimidine-5-carbaldehyde. And the chemical formula of this chemical is C₅H₆N₄O.

Physical properties of 5-Pyrimidinecarboxaldehyde,2,4-diamino-: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.91; (8)ACD/KOC (pH 7.4): 33.55; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.33 Å²; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 37.66 cm³; (15)Molar Volume: 92.1 cm³; (16)Polarizability: 14.92×10^-24cm³; (17)Surface Tension: 101.4 dyne/cm; (18)Density: 1.499 g/cm³; (19)Flash Point: 237 °C; (20)Enthalpy of Vaporization: 73.05 kJ/mol; (21)Boiling Point: 468.3 °C at 760 mmHg; (22)Vapour Pressure: 6.05E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Pyrimidinecarboxaldehyde,2,4-diamino- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(nc1N)N
(2)InChI: InChI=1/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
(3)InChIKey: GPWNWKWQOLEVEQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6N4O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H,(H4,6,7,8,9)
(5)Std. InChIKey: GPWNWKWQOLEVEQ-UHFFFAOYSA-N