N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
TL;DR: N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 713090-07-4) is a chemical compound with molecular formula C17H21ClN6O2 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: [4-amino-6-(3-methylpiperidyl)-5-nitropyrimidin-2-yl][(4-chlorophenyl)methyl]a mine|2-N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine|N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine|N2-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine|N2-[(4-CHLOROPHENYL)METHYL]-6-(3-METHYLPIPERIDIN-1-YL)-5-NITROPYRIMIDINE-2,4-DIAMINE
| Molecular Formula | C17H21ClN6O2 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.4688 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.14145 |
| Heavy Atoms | 26 |
| Complexity | 798.58527 |
Chemical Identifiers
| CAS Number | 713090-07-4 |
|---|---|
| SMILES | CC1CCCN(C1)C2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=C(C=C3)Cl |
Product Overview
N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 713090-07-4), with molecular formula C17H21ClN6O2 and molecular weight 376.14 g/mol. IUPAC: 2-N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Property Insights of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 3.4688 indicates that N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-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)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-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)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The CAS number of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is 713090-07-4.
What is the molecular formula of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is C17H21ClN6O2.
What is the molecular weight of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is 376.14 g/mol.
Where can I buy N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-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)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(4-chlorobenzyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.