4,5-Pyrimidinediamine, 6-chloro-
TL;DR: 4,5-Pyrimidinediamine, 6-chloro- (CAS 4316-98-7) is a chemical compound with molecular formula C4H5ClN4 and molecular weight 144.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloropyrimidine-4,5-diamine
Also Known As: 6-Chloropyrimidine-4,5-diamine, 6-Chloro-4,5-diaminopyrimidine, 4,5-Diamino-6-chloropyrimidine, 4,5-Pyrimidinediamine, 6-chloro-, 6-CHLORO-4,5-PYRIMIDINEDIAMINE
| Molecular Formula | C4H5ClN4 |
|---|---|
| Molecular Weight | 144.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.02028 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 4316-98-7 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)Cl)N)N |
| InChIKey | VNSFICAUILKARD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Pyrimidinediamine, 6-chloro- (CAS 4316-98-7), with molecular formula C4H5ClN4 and molecular weight 144.02 g/mol. IUPAC: 6-chloropyrimidine-4,5-diamine.
Chemical Property Profile of 4,5-Pyrimidinediamine, 6-chloro-
Property Insights of 4,5-Pyrimidinediamine, 6-chloro-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Pyrimidinediamine, 6-chloro-. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pyrimidinediamine, 6-chloro-. Following Lipinski's Rule of Five, 4,5-Pyrimidinediamine, 6-chloro- 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 4,5-Pyrimidinediamine, 6-chloro-?
The CAS number of 4,5-Pyrimidinediamine, 6-chloro- is 4316-98-7.
What is the molecular formula of 4,5-Pyrimidinediamine, 6-chloro-?
The molecular formula of 4,5-Pyrimidinediamine, 6-chloro- is C4H5ClN4.
What is the molecular weight of 4,5-Pyrimidinediamine, 6-chloro-?
The molecular weight of 4,5-Pyrimidinediamine, 6-chloro- is 144.02 g/mol.
Where can I buy 4,5-Pyrimidinediamine, 6-chloro-?
You can request a quote for 4,5-Pyrimidinediamine, 6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Pyrimidinediamine, 6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pyrimidinediamine, 6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.