N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 577790-39-7) 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-(3-chlorophenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine
Also Known As: AB01332667-02, N4-(3-chlorophenyl)-N2-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine, (6-amino-2-{[(4-methylphenyl)methyl]amino}-5-nitropyrimidin-4-yl)(3-chlorophen yl)amine, 4-N-(3-chlorophenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine, N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C18H17ClN6O2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 4.28452 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.11014 |
| Heavy Atoms | 27 |
| Complexity | 978.08594 |
Chemical Identifiers
| CAS Number | 577790-39-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N |
Product Overview
N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine (CAS 577790-39-7), with molecular formula C18H17ClN6O2 and molecular weight 384.11 g/mol. IUPAC: 4-N-(3-chlorophenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 4.28452 indicates that N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-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~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-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~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is 577790-39-7.
What is the molecular formula of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is C18H17ClN6O2.
What is the molecular weight of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine is 384.11 g/mol.
Where can I buy N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-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~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-(3-chlorophenyl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.