N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 587002-90-2) is a chemical compound with molecular formula C13H16FN7O2 and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-aminopropyl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N2-(3-aminopropyl)-N4-(3-fluorophenyl)-5-nitro-pyrimidine-2,4,6-triamine, N2-(3-aminopropyl)-N4-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine, 2-N-(3-aminopropyl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine, N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C13H16FN7O2 |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 1.6104 |
| Topological Polar Surface Area | 145.02 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.13495 |
| Heavy Atoms | 23 |
| Complexity | 710.7175 |
Chemical Identifiers
| CAS Number | 587002-90-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN |
Product Overview
N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 587002-90-2), with molecular formula C13H16FN7O2 and molecular weight 321.13 g/mol. IUPAC: 2-N-(3-aminopropyl)-4-N-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.6104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine. The TPSA of 145.02 Ų indicates high polarity, suggesting N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine has 4 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 N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine is 587002-90-2.
What is the molecular formula of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine is C13H16FN7O2.
What is the molecular weight of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine is 321.13 g/mol.
Where can I buy N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-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~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(3-aminopropyl)-N~4~-(3-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.