4,6-Pyrimidinediamine, monohydrochloride
TL;DR: 4,6-Pyrimidinediamine, monohydrochloride (CAS 5468-67-7) is a chemical compound with molecular formula C4H7ClN4 and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidine-4,6-diamine;hydrochloride
Also Known As: 4, hydrochloride, Pyrimidine-4,6-diamine hydrochloride, 4,6-Pyrimidinediamine, monohydrochloride, 4,6-Diaminopyrimidene, 4,6-Diaminopyrimidine
| Molecular Formula | C4H7ClN4 |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.06 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.03592 |
| Heavy Atoms | 9 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 5468-67-7 |
|---|---|
| SMILES | C1=C(N=CN=C1N)N.Cl |
| InChIKey | MVZWLBUGTZKZMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Pyrimidinediamine, monohydrochloride (CAS 5468-67-7), with molecular formula C4H7ClN4 and molecular weight 146.04 g/mol. IUPAC: pyrimidine-4,6-diamine;hydrochloride.
Chemical Property Profile of 4,6-Pyrimidinediamine, monohydrochloride
Property Insights of 4,6-Pyrimidinediamine, monohydrochloride
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Pyrimidinediamine, monohydrochloride. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Pyrimidinediamine, monohydrochloride. Following Lipinski's Rule of Five, 4,6-Pyrimidinediamine, monohydrochloride has 3 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 4,6-Pyrimidinediamine, monohydrochloride?
The CAS number of 4,6-Pyrimidinediamine, monohydrochloride is 5468-67-7.
What is the molecular formula of 4,6-Pyrimidinediamine, monohydrochloride?
The molecular formula of 4,6-Pyrimidinediamine, monohydrochloride is C4H7ClN4.
What is the molecular weight of 4,6-Pyrimidinediamine, monohydrochloride?
The molecular weight of 4,6-Pyrimidinediamine, monohydrochloride is 146.04 g/mol.
Where can I buy 4,6-Pyrimidinediamine, monohydrochloride?
You can request a quote for 4,6-Pyrimidinediamine, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Pyrimidinediamine, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Pyrimidinediamine, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.