6-chloro-4-N-ethylpyrimidine-4,5-diamine
TL;DR: 6-chloro-4-N-ethylpyrimidine-4,5-diamine (CAS 98140-03-5) 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.
6-chloro-4-N-ethylpyrimidine-4,5-diamine
Also Known As: 6-chloro-N4-ethylpyrimidine-4,5-diamine, 6-chloro-4-N-ethylpyrimidine-4,5-diamine, 4,5-pyrimidinediamine, 6-chloro-N4-ethyl-, 6-Chloro-N4-ethyl-pyrimidine-4,5-diamine, 4-ethylamino-5-amino-6-chloropyrimidine
| Molecular Formula | C6H9ClN4 |
|---|---|
| Molecular Weight | 172.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.05157 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 98140-03-5 |
|---|---|
| SMILES | CCNC1=C(C(=NC=N1)Cl)N |
| InChIKey | CSCQRGAUEMMNAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-chloro-4-N-ethylpyrimidine-4,5-diamine (CAS 98140-03-5), with molecular formula C6H9ClN4 and molecular weight 172.05 g/mol. IUPAC: 6-chloro-4-N-ethylpyrimidine-4,5-diamine.
Chemical Property Profile of 6-chloro-4-N-ethylpyrimidine-4,5-diamine
Property Insights of 6-chloro-4-N-ethylpyrimidine-4,5-diamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-4-N-ethylpyrimidine-4,5-diamine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-4-N-ethylpyrimidine-4,5-diamine. Following Lipinski's Rule of Five, 6-chloro-4-N-ethylpyrimidine-4,5-diamine 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-4-N-ethylpyrimidine-4,5-diamine?
The CAS number of 6-chloro-4-N-ethylpyrimidine-4,5-diamine is 98140-03-5.
What is the molecular formula of 6-chloro-4-N-ethylpyrimidine-4,5-diamine?
The molecular formula of 6-chloro-4-N-ethylpyrimidine-4,5-diamine is C6H9ClN4.
What is the molecular weight of 6-chloro-4-N-ethylpyrimidine-4,5-diamine?
The molecular weight of 6-chloro-4-N-ethylpyrimidine-4,5-diamine is 172.05 g/mol.
Where can I buy 6-chloro-4-N-ethylpyrimidine-4,5-diamine?
You can request a quote for 6-chloro-4-N-ethylpyrimidine-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-N-ethylpyrimidine-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-N-ethylpyrimidine-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.