Specification: |
The 2-Chloro-6-methylpyrimidine-4,5-diamine with cas registry number of 63211-98-3, has the systematic name of 2-chloro-6-methylpyrimidine-4,5-diamine. And its IUPAC name is the same one. Besides this, it is also named 2-Chloro-4,5-diamino-6-methylpyrimidine 95+%.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 11.452; (5)ACD/KOC (pH 7.4): 11.755; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 77.82 Å2; (10)Index of Refraction: 1.671; (11)Molar Refractivity: 40.628 cm3; (12)Molar Volume: 108.667 cm3; (13)Polarizability: 16.106×10-24cm3; (14)Surface Tension: 75.905 dyne/cm; (15)Enthalpy of Vaporization: 62.477 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2-Chloro-6-methylpyrimidine-4,5-diamine 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.
Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(nc(n1)Cl)N)N;
(2)InChI: InChI=1/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10);
(3)InChIKey: KSGKEVCHVYUUDN-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10);
(5)Std. InChIKey: KSGKEVCHVYUUDN-UHFFFAOYSA-N
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