TL;DR: 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CAS 127880-88-0) is a chemical compound with molecular formula C12H16N6O4 and molecular weight 308.1233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-7-[(2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Also Known As: 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide, 4-Amino-7-(2-amino-2-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid, 4-amino-7-(2-deoxy-2-amino-, A-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide
| Molecular Formula | C12H16N6O4 |
| Molecular Weight | 308.1233 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.1233 Da |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| SMILES | C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N)N)C(=O)N |
| InChIKey | HYORTPMDTQQBTL-ADVRJHOBSA-N |
The XLogP value of -2.7 indicates that 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-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 176.0 Ų indicates high polarity, suggesting 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-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,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is 127880-88-0.
The molecular formula of 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is C12H16N6O4.
The molecular weight of 4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is 308.1233 g/mol.
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