N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
TL;DR: N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine (CAS 587010-06-8) is a chemical compound with molecular formula C17H15FN6O2 and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-4-N-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N2-BENZYL-N4-(4-FLUOROPHENYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, 2-N-benzyl-4-N-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine, N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine, [6-amino-2-(benzylamino)-5-nitro-pyrimidin-4-yl]-(4-fluorophenyl)amine, {6-amino-5-nitro-2-[benzylamino]pyrimidin-4-yl}(4-fluorophenyl)amine
| Molecular Formula | C17H15FN6O2 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.4618 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.12405 |
| Heavy Atoms | 26 |
| Complexity | 918.54114 |
Chemical Identifiers
| CAS Number | 587010-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=C(C=C3)F)[N+](=O)[O-])N |
Product Overview
N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine (CAS 587010-06-8), with molecular formula C17H15FN6O2 and molecular weight 354.12 g/mol. IUPAC: 2-N-benzyl-4-N-(4-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
Property Insights of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine
The XLogP value of 3.4618 indicates that N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-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-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-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-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The CAS number of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is 587010-06-8.
What is the molecular formula of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The molecular formula of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is C17H15FN6O2.
What is the molecular weight of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
The molecular weight of N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine is 354.12 g/mol.
Where can I buy N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
You can request a quote for N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-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-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-N'-(4-fluoro-phenyl)-5-nitro-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.