6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine
TL;DR: 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 681271-48-7) is a chemical compound with molecular formula C21H22N6O2 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Also Known As: 6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine, 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-amine, F0543-0251, 6-(4-benzhydryl-1-piperazinyl)-5-nitro-4-pyrimidinamine, 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine
| Molecular Formula | C21H22N6O2 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 2.8786 |
| Topological Polar Surface Area | 101.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.18042 |
| Heavy Atoms | 29 |
| Complexity | 935.4762 |
Chemical Identifiers
| CAS Number | 681271-48-7 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=NC(=C2[N+](=O)[O-])N)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CAS 681271-48-7), with molecular formula C21H22N6O2 and molecular weight 390.18 g/mol. IUPAC: 6-(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine
Property Insights of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine
The XLogP value of 2.8786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine. The TPSA of 101.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine has 1 hydrogen bond donor(s) and 7 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-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 681271-48-7.
What is the molecular formula of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine is C21H22N6O2.
What is the molecular weight of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine is 390.18 g/mol.
Where can I buy 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.