2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
TL;DR: 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine (CAS 5176-95-4) is a chemical compound with molecular formula C6H9ClN4 and molecular weight 172.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine
Also Known As: 2-Chloro-N4,6-dimethylpyrimidine-4,5-diamine, 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine, 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine, 2-chloro-N~4~,6-dimethylpyrimidine-4,5-diamine, pyrimidine, 5-amino-2-chloro-4-methyl-6-methylamino-
| Molecular Formula | C6H9ClN4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.06232 |
| Topological Polar Surface Area | 63.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.05157 |
| Heavy Atoms | 11 |
| Complexity | 273.52994 |
Chemical Identifiers
| CAS Number | 5176-95-4 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)Cl)NC)N |
Product Overview
2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine (CAS 5176-95-4), with molecular formula C6H9ClN4 and molecular weight 172.05 g/mol. IUPAC: 2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine.
Chemical Property Profile of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
Property Insights of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine
The XLogP value of 1.06232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine. The TPSA of 63.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine. Following Lipinski's Rule of Five, 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine?
The CAS number of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine is 5176-95-4.
What is the molecular formula of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine?
The molecular formula of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine is C6H9ClN4.
What is the molecular weight of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine?
The molecular weight of 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine is 172.05 g/mol.
Where can I buy 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine?
You can request a quote for 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N4,6-dimethyl-4,5-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.