4(3H)-Pyrimidinone,2-amino-6-(trifluoromethyl)- (1513-69-5)

The 2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine with cas registry number of 1513-69-5, belongs to the following product categories: (1)Heterocyclic Building Blocks; (2)Pyrimidines; (3)Pyrimidine; (4)Building Blocks. It has the systematic name of 2-amino-6-(trifluoromethyl)pyrimidin-4-ol. And its IUPAC name is 2-amino-6-(trifluoromethyl)-1H-pyrimidin-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.98; (8)ACD/KOC (pH 7.4): 6.3; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 32.05 cm³; (15)Molar Volume: 102 cm³; (16)Polarizability: 12.7×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Enthalpy of Vaporization: 42.33 kJ/mol; (19)Vapour Pressure: 0.643 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine 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: FC(F)(F)C=1N\C(=N/C(=O)C=1)N;
(2)InChI: InChI=1/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12);
(3)InChIKey: ZEPSVMLZBXDPGU-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12);
(5)Std. InChIKey: ZEPSVMLZBXDPGU-UHFFFAOYSA-N