N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
TL;DR: N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine (CAS 578732-39-5) is a chemical compound with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine
Also Known As: (4-amino-5-nitro-6-piperidylpyrimidin-2-yl)[(4-chlorophenyl)methyl]amine, N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine, N2-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine, 2-N-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine, N2-[(4-CHLOROPHENYL)METHYL]-5-NITRO-6-(PIPERIDIN-1-YL)PYRIMIDINE-2,4-DIAMINE
| Molecular Formula | C16H19ClN6O2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 3.2228 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1258 |
| Heavy Atoms | 25 |
| Complexity | 761.9654 |
Chemical Identifiers
| CAS Number | 578732-39-5 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl |
Product Overview
N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine (CAS 578732-39-5), with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol. IUPAC: 2-N-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
Property Insights of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine
The XLogP value of 3.2228 indicates that N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine has 2 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~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine?
The CAS number of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine is 578732-39-5.
What is the molecular formula of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine?
The molecular formula of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine is C16H19ClN6O2.
What is the molecular weight of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine?
The molecular weight of N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine is 362.13 g/mol.
Where can I buy N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine?
You can request a quote for N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.