N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 714945-47-8) 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.
2-N-(4-chlorophenyl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N2-(4-CHLOROPHENYL)-N4-(3,4-DIMETHYLPHENYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, {6-amino-2-[(4-chlorophenyl)amino]-5-nitropyrimidin-4-yl}(3,4-dimethylphenyl)a mine, 2-N-(4-chlorophenyl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine, N~2~-(4-chlorophenyl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine, (2E)-2-[(4-chlorophenyl)imino]-N~4~-(3,4-dimethylphenyl)-5-nitro-1,2-dihydropyrimidine-4,6-diamine
| Molecular Formula | C18H17ClN6O2 |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 4.72444 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.11014 |
| Heavy Atoms | 27 |
| Complexity | 1007.4788 |
Chemical Identifiers
| CAS Number | 714945-47-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=C(C=C3)Cl)C |
Product Overview
N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 714945-47-8), with molecular formula C18H17ClN6O2 and molecular weight 384.11 g/mol. IUPAC: 2-N-(4-chlorophenyl)-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 4.72444 indicates that N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-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 N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-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 N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is 714945-47-8.
What is the molecular formula of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is C18H17ClN6O2.
What is the molecular weight of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is 384.11 g/mol.
Where can I buy N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-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 N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N2-(4-Chlorophenyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.