N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 835911-05-2) is a chemical compound with molecular formula C18H18N6O3 and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N2-BENZYL-N4-(4-METHOXYPHENYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, 2-N-benzyl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, {6-amino-5-nitro-2-[benzylamino]pyrimidin-4-yl}(4-methoxyphenyl)amine, N~2~-benzyl-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C18H18N6O3 |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 3.3313 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.14404 |
| Heavy Atoms | 27 |
| Complexity | 931.8319 |
Chemical Identifiers
| CAS Number | 835911-05-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3 |
Product Overview
N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 835911-05-2), with molecular formula C18H18N6O3 and molecular weight 366.14 g/mol. IUPAC: 2-N-benzyl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 3.3313 indicates that N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 8 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-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 835911-05-2.
What is the molecular formula of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is C18H18N6O3.
What is the molecular weight of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 366.14 g/mol.
Where can I buy N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N2-Benzyl-N4-(4-methoxyphenyl)-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-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N2-Benzyl-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.