2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
TL;DR: 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine (CAS 836641-35-1) is a chemical compound with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzylpiperidin-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
Also Known As: 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine, 2-(4-benzylpiperidin-1-yl)-N4-[(furan-2-yl)methyl]-5-nitropyrimidine-4,6-diamine, F2678-0373, {6-amino-5-nitro-2-[4-benzylpiperidyl]pyrimidin-4-yl}(2-furylmethyl)amine, 2-(4-benzylpiperidin-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C21H24N6O3 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 3.6312 |
| Topological Polar Surface Area | 123.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.19098 |
| Heavy Atoms | 30 |
| Complexity | 985.48615 |
Chemical Identifiers
| CAS Number | 836641-35-1 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C3=NC(=C(C(=N3)NCC4=CC=CO4)[N+](=O)[O-])N |
Product Overview
2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine (CAS 836641-35-1), with molecular formula C21H24N6O3 and molecular weight 408.19 g/mol. IUPAC: 2-(4-benzylpiperidin-1-yl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
Property Insights of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 3.6312 indicates that 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine has 2 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 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine is 836641-35-1.
What is the molecular formula of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine is C21H24N6O3.
What is the molecular weight of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine is 408.19 g/mol.
Where can I buy 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-benzylpiperidin-1-yl)-N4-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.