3H-Pyrrolo[2,3-d]pyrimidine-6-carboxylicacid, 4,7-dihydro-4-oxo-, ethyl ester (187724-99-8)

The Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate, with the CAS registry number 187724-99-8, is also known as 4-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₉H₉N₃O₃ and molecular weight is 207.19. What's more, its its IUPAC name is Ethyl 4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-6-carboxylate and systematic name is called Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Physical properties about Ethyl 4-hydroxy-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate are: (1) ACD/LogP: 0.60; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 6; (8) #H bond donors: 2; (9) #Freely Rotating Bonds: 3; (10) Polar Surface Area: 88.1 Å²; (11) Index of Refraction: 1.674; (12) Molar Refractivity: 52.99 cm³; (13) Molar Volume: 141.1 cm³; (14) Surface Tension: 77.3 dyne/cm; (15) Density: 1.467 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c2cc1c(ncnc1O)n2
(2) InChI: InChI=1/C9H9N3O3/c1-2-15-9(14)6-3-5-7(12-6)10-4-11-8(5)13/h3-4H,2H2,1H3,(H2,10,11,12,13)
(3) InChIKey: RSJUPDUDZRGVRW-UHFFFAOYAC