6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
TL;DR: 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine (CAS 713085-77-9) is a chemical compound with molecular formula C22H25N7O3 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
Also Known As: 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine, 6-(4-benzylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine, 6-(4-BENZYLPIPERAZIN-1-YL)-N2-(3-METHOXYPHENYL)-5-NITROPYRIMIDINE-2,4-DIAMINE, (2Z)-6-(4-benzylpiperazin-1-yl)-2-[(3-methoxyphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-amine
| Molecular Formula | C22H25N7O3 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 3.0414 |
| Topological Polar Surface Area | 122.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.20187 |
| Heavy Atoms | 32 |
| Complexity | 1086.1375 |
Chemical Identifiers
| CAS Number | 713085-77-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])N |
Product Overview
6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine (CAS 713085-77-9), with molecular formula C22H25N7O3 and molecular weight 435.20 g/mol. IUPAC: 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
Property Insights of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 3.0414 indicates that 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 9 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-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine?
The CAS number of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine is 713085-77-9.
What is the molecular formula of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine is C22H25N7O3.
What is the molecular weight of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine is 435.20 g/mol.
Where can I buy 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-benzylpiperazin-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.