N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 577964-10-4) is a chemical compound with molecular formula C18H17ClN6O2 and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4,6-triamine
Also Known As: N4-benzyl-N2-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine, 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4,6-triamine, N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine, N4-benzyl-N2-[(4-chlorophenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine, (6-amino-2-{[(4-chlorophenyl)methyl]amino}-5-nitropyrimidin-4-yl)benzylamine
| Molecular Formula | C18H17ClN6O2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.8446 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.11014 |
| Heavy Atoms | 27 |
| Complexity | 934.5868 |
Chemical Identifiers
| CAS Number | 577964-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl |
Product Overview
N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 577964-10-4), with molecular formula C18H17ClN6O2 and molecular weight 384.11 g/mol. IUPAC: 4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 3.8446 indicates that N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine has 3 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 N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine is 577964-10-4.
What is the molecular formula of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine is C18H17ClN6O2.
What is the molecular weight of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine is 384.11 g/mol.
Where can I buy N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-benzyl-N~2~-(4-chlorobenzyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.