2-AMINO-5-CHLOROPYRIMIDINE-4-CARBOXYLIC ACID

The 4-Pyrimidinecarboxylicacid, 2-amino-5-chloro-, with the CAS registry number of 45867-11-6, is also known as 2-Amino-4-carboxy-5-chloropyrimidine. Its EINECS registry number is 256-248-7. This chemical's molecular formula is C₅H₄ClN₃O₂ and molecular weight is 173.56. What's more, its IUPAC name is 2-Amino-5-chloropyrimidine-4-carboxylic acid.

Physical properties about 4-Pyrimidinecarboxylicacid, 2-amino-5-chloro- are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.39; (4)ACD/LogD (pH 7.4): -3.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.32 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 38.49 cm³; (15)Molar Volume: 102.6 cm³; (16)Surface Tension: 93.7 dyne/cm; (17)Density: 1.69 g/cm³; (18)Flash Point: 242.9 °C; (19)Enthalpy of Vaporization: 78.16 kJ/mol; (20)Boiling Point: 478 °C at 760 mmHg; (21)Vapour Pressure: 6.04E-10 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Amino-1, 4, 5, 6-tetrahydro-pyrimidine-4-carboxylic acid; hydrochloride at ambient temperature. This reaction needs reagents H₂ and aq. HCl. Meanwhile, it needs catalyst 10 % Pd/C. The reaction time is 4 hours with reaction pressure of 1499.7 Pa. The yield is about 80.5 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of 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=C(O)c1nc(ncc1Cl)N
(2) InChI: InChI=1/C5H4ClN3O2/c6-2-1-8-5(7)9-3(2)4(10)11/h1H,(H,10,11)(H2,7,8,9)
(3) InChIKey: PDLZOTZLGNZOFS-UHFFFAOYAP