N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
TL;DR: N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine (CAS 577789-43-6) is a chemical compound with molecular formula C11H11FN6O2 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(4-fluorophenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine
Also Known As: KSC-8-247-11, N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine, 4-N-(4-fluorophenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine, BRD-K24346336-001-01-7, N4-(4-fluorophenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine
| Molecular Formula | C11H11FN6O2 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.8914 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.09274 |
| Heavy Atoms | 20 |
| Complexity | 646.10675 |
Chemical Identifiers
| CAS Number | 577789-43-6 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)F)[N+](=O)[O-])N |
Product Overview
N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine (CAS 577789-43-6), with molecular formula C11H11FN6O2 and molecular weight 278.09 g/mol. IUPAC: 4-N-(4-fluorophenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
Property Insights of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.8914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-(4-fluorophenyl)-N2-methyl-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 N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine is 577789-43-6.
What is the molecular formula of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine is C11H11FN6O2.
What is the molecular weight of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine is 278.09 g/mol.
Where can I buy N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N4-(4-fluorophenyl)-N2-methyl-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 N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(4-fluorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.