4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine
TL;DR: 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine (CAS 91090-21-0) is a chemical compound with molecular formula C11H12ClN5 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine
Also Known As: 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine, 2-phenyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine, N~4~-(3-Chloro-4-methylphenyl)pyrimidine-2,4,6-triamine, N4-(3-chloro-4-methyl-phenyl)-pyrimidine-2,4,6-triamine, N6-(3-chloro-4-methyl-phenyl)pyrimidine-2,4,6-triamine
| Molecular Formula | C11H12ClN5 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.07812 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 91090-21-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2)N)N)Cl |
| InChIKey | RUXYUHJTUKIYJQ-UHFFFAOYSA-N |
Product Overview
4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine (CAS 91090-21-0), with molecular formula C11H12ClN5 and molecular weight 249.08 g/mol. IUPAC: 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine
Property Insights of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 5 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 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine?
The CAS number of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine is 91090-21-0.
What is the molecular formula of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine?
The molecular formula of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine is C11H12ClN5.
What is the molecular weight of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine?
The molecular weight of 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine is 249.08 g/mol.
Where can I buy 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine?
You can request a quote for 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-(3-chloro-4-methylphenyl)pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.