4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine (CAS 578753-72-7) is a chemical compound with molecular formula C17H22FN7O3 and molecular weight 391.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine, N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine, BRD-K33239740-001-07-0, N'-(3-Fluoro-phenyl)-N-(3-morpholin-4-yl-propyl)-5-nitro-pyrimidine-2,4,6-triamine, N~4~-(3-fluorophenyl)-N~2~-[3-(morpholin-4-yl)propyl]-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C17H22FN7O3 |
|---|---|
| Molecular Weight | 391.18 g/mol |
| LogP | 1.9839 |
| Topological Polar Surface Area | 131.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.17682 |
| Heavy Atoms | 28 |
| Complexity | 830.39343 |
Chemical Identifiers
| CAS Number | 578753-72-7 |
|---|---|
| SMILES | C1COCCN1CCCNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)F)[N+](=O)[O-])N |
Product Overview
4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine (CAS 578753-72-7), with molecular formula C17H22FN7O3 and molecular weight 391.18 g/mol. IUPAC: 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.9839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine. The TPSA of 131.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 9 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 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine is 578753-72-7.
What is the molecular formula of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine is C17H22FN7O3.
What is the molecular weight of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine is 391.18 g/mol.
Where can I buy 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-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 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-(3-fluorophenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.