![2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure](/static/products/166/166047-40-1.webp)
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
TL;DR: 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 166047-40-1) is a chemical compound with molecular formula C7H6N6 and molecular weight 174.0654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,4diamino-5-cyanopyrrolo[2,3-d]pyrimidine, 2,4-diamino-5-cyanopyrrolo[2,3-d]pyrimidine, 2,4-diaminopyrrolo[2,3-d]pyrimidine-5-carbonitrile, 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,4-diamino-
Technical Specifications
| Molecular Formula | C7H6N6 |
| Molecular Weight | 174.0654 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.0654 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | C1=C(C2=C(N=C(N=C2N1)N)N)C#N |
| InChIKey | FUPLJXWGPRIIQW-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Property Insights of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
The XLogP value of -0.3 indicates that 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The CAS number of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 166047-40-1.
What is the molecular formula of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The molecular formula of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is C7H6N6.
What is the molecular weight of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The molecular weight of 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 174.0654 g/mol.
Where can I buy 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
You can request a quote for 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.