2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine
TL;DR: 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine (CAS 1346600-27-8) is a chemical compound with molecular formula C13H15BrN4O2 and molecular weight 338.03784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-bromo-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Also Known As: Trimethoprim impurity F, 3-Desmethoxy-3-bromo Trimethoprim, Trimethoprim EP Impurity F, 4-Desmethoxy-4-bromo Trimethoprim, Trimethoprim impurity F [USP-MC]
Technical Specifications
| Molecular Formula | C13H15BrN4O2 |
| Molecular Weight | 338.03784 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.03784 Da |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
| SMILES | COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)Br)OC |
| InChIKey | XJSNBPJINGRLAM-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine
Property Insights of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine. Following Lipinski's Rule of Five, 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine has 2 hydrogen bond donor(s) and 6 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-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine?
The CAS number of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine is 1346600-27-8.
What is the molecular formula of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine?
The molecular formula of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine is C13H15BrN4O2.
What is the molecular weight of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine?
The molecular weight of 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine is 338.03784 g/mol.
Where can I buy 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine?
You can request a quote for 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 2,4-Diamino-5-(3-bromo-4,5-dimethoxybenzyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.