TL;DR: 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CAS 127880-97-1) is a chemical compound with molecular formula C12H14IN5O4 and molecular weight 419.00906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-7-[(2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodooxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-7-(4-hydroxy-5-hydroxymethyl-3-iodo-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide, 4-amino-7-(2-deoxy-2-iodo-EC-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide, 4-amino-7-(2-deoxy-2-iodo-EC-D-arabinofuranosyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-7-(2-deoxy-2-iodopentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid
| Molecular Formula | C12H14IN5O4 |
| Molecular Weight | 419.00906 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.00906 Da |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)I)N)C(=O)N |
| InChIKey | OOZJUZZEMXCESE-ADVRJHOBSA-N |
The XLogP value of -0.8 indicates that 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is 127880-97-1.
The molecular formula of 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is C12H14IN5O4.
The molecular weight of 4-Amino-7-((2R,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodotetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is 419.00906 g/mol.
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