6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride
TL;DR: 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride (CAS 83540-31-2) is a chemical compound with molecular formula C8H16Cl2N6O and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;dihydrochloride
Also Known As: 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride, 2,4-Pyrimidinediamine, 6-(1-piperazinyl)-, 3-oxide, hydrochloride (1:2), 3-Hydroxy-2-imino-6-(1-piperazinyl)-4-pyrimidinamine dihydrochloride
| Molecular Formula | C8H16Cl2N6O |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | -0.56473 |
| Topological Polar Surface Area | 103.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.07626 |
| Heavy Atoms | 17 |
| Complexity | 416.9667 |
Chemical Identifiers
| CAS Number | 83540-31-2 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC(=N)N(C(=C2)N)O.Cl.Cl |
Product Overview
6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride (CAS 83540-31-2), with molecular formula C8H16Cl2N6O and molecular weight 282.08 g/mol. IUPAC: 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;dihydrochloride.
Chemical Property Profile of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride
Property Insights of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride
The XLogP value of -0.56473 indicates that 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride. Following Lipinski's Rule of Five, 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride has 4 hydrogen bond donor(s) and 6 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-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride?
The CAS number of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride is 83540-31-2.
What is the molecular formula of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride?
The molecular formula of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride is C8H16Cl2N6O.
What is the molecular weight of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride?
The molecular weight of 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride is 282.08 g/mol.
Where can I buy 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride?
You can request a quote for 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Piperazinyl)-2,4-pyrimidinediamine-3-oxide dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.