6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine
TL;DR: 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine (CAS 70849-60-4) is a chemical compound with molecular formula C14H17ClN4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-(3,4-dimethylphenyl)-5-ethylpyrimidine-2,4-diamine
Also Known As: 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine, 6-chloro-n4-(3,4-dimethylphenyl)-5-ethylpyrimidine-2,4-diamine, (4aS,8aR)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin, 6-chloro-4-N-(3,4-dimethylphenyl)-5-ethylpyrimidine-2,4-diamine, 6-Chloro-N-(3,4-dimethylphenyl)-5-ethyl-2-imino-1,2-dihydropyrimidin-4-amine
| Molecular Formula | C14H17ClN4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.11417 |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 70849-60-4 |
|---|---|
| SMILES | CCC1=C(N=C(N=C1Cl)N)NC2=CC(=C(C=C2)C)C |
| InChIKey | DCESIQLJPZZMSY-UHFFFAOYSA-N |
Product Overview
6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine (CAS 70849-60-4), with molecular formula C14H17ClN4 and molecular weight 276.11 g/mol. IUPAC: 6-chloro-4-N-(3,4-dimethylphenyl)-5-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine
Property Insights of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine
The XLogP value of 4.2 indicates that 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine. Following Lipinski's Rule of Five, 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-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 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine?
The CAS number of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine is 70849-60-4.
What is the molecular formula of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine?
The molecular formula of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine is C14H17ClN4.
What is the molecular weight of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine?
The molecular weight of 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine is 276.11 g/mol.
Where can I buy 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine?
You can request a quote for 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-N~4~-(3,4-dimethylphenyl)-5-ethyl-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.