ETHYL 2-AMINO-4-PROPYLPYRIMIDINE-5-CARBOXYLATE

The 5-Pyrimidinecarboxylicacid, 2-amino-4-propyl-, ethyl ester, with the CAS registry number of 127957-83-9,  is also known as Ethyl 2-amino-4-propyl-5-pyrimidinecarboxylate. Its molecular formula is C₁₀H₁₅N₃O₂ and molecular weight is 209.24. What's more, its systematic name is Ethyl 2-amino-4-propylpyrimidine-5-carboxylate.

Physical properties about the 5-Pyrimidinecarboxylicacid, 2-amino-4-propyl-, ethyl ester are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14.03; (7)ACD/KOC (pH 5.5): 229.97; (8)ACD/KOC (pH 7.4): 230.46; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.32 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 57.25 cm³; (15)Molar Volume: 181.8 cm³; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.15 g/cm³; (18)Flash Point: 193.8 °C; (19)Enthalpy of Vaporization: 64.73 kJ/mol; (20)Boiling Point: 396.9 °C at 760 mmHg; (21)Vapour Pressure: 1.65E-06 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Guanidine; Acetate with 2-Butyryl-3-dimethylamino-acrylic acid ethyl ester. The reaction needs reagent NaOEt and solvent Ethanol. The reaction time is 1 h. The yield is about 73 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Amino-4-propyl-pyrimidine-5-carboxylic acid. This reaction needs reagent KOH. Meanwhile, it needs solvent Methanol. The reaction time is 5 h. The yield is about 99 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cnc(nc1CCC)N
(2) InChI: InChI=1/C10H15N3O2/c1-3-5-8-7(9(14)15-4-2)6-12-10(11)13-8/h6H,3-5H2,1-2H3,(H2,11,12,13)
(3) InChIKey: QYDLUXLMZMKADP-UHFFFAOYAA