2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine
TL;DR: 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine (CAS 392236-58-7) is a chemical compound with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
Also Known As: 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine, 2-chloro-N4-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine, F0292-0005, 2-chloro-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C12H12ClN5O2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.54092 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.06796 |
| Heavy Atoms | 20 |
| Complexity | 645.0411 |
Chemical Identifiers
| CAS Number | 392236-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)Cl |
Product Overview
2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine (CAS 392236-58-7), with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol. IUPAC: 2-chloro-4-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine
Property Insights of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 2.54092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 6 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-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine is 392236-58-7.
What is the molecular formula of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine is C12H12ClN5O2.
What is the molecular weight of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine is 293.07 g/mol.
Where can I buy 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for 2-chloro-N4-(4-methylbenzyl)-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-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N4-(4-methylbenzyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.