![6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine structure](/static/products/500/500356-59-2.png)
6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine
TL;DR: 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine (CAS 500356-59-2) is a chemical compound with molecular formula C11H10ClN5O2 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine
Also Known As: 6-chloro-n4-(4-nitrobenzyl)pyrimidine-4,5-diamine, 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine
| Molecular Formula | C11H10ClN5O2 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0523 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 500356-59-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=C(C(=NC=N2)Cl)N)[N+](=O)[O-] |
| InChIKey | ZMYZYVDWPRZXOF-UHFFFAOYSA-N |
Product Overview
6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine (CAS 500356-59-2), with molecular formula C11H10ClN5O2 and molecular weight 279.05 g/mol. IUPAC: 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine.
Chemical Property Profile of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine
Property Insights of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine. Following Lipinski's Rule of Five, 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-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 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine?
The CAS number of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine is 500356-59-2.
What is the molecular formula of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine?
The molecular formula of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine is C11H10ClN5O2.
What is the molecular weight of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine?
The molecular weight of 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine is 279.05 g/mol.
Where can I buy 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine?
You can request a quote for 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-N-[(4-nitrophenyl)methyl]pyrimidine-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.