1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea
TL;DR: 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea (CAS 79513-89-6) is a chemical compound with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea
Also Known As: 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea, J1.920.047G, 1-(2,6-Dimethylpyrimidine-4-yl)-3-(4-chlorophenyl)urea, 3-(4-chlorophenyl)-1-(2,6-dimethylpyrimidin-4-yl)urea, N-(4-Chlorophenyl)-N'-(2,6-dimethylpyrimidin-4-yl)urea
| Molecular Formula | C13H13ClN4O |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 3.39084 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.0778 |
| Heavy Atoms | 19 |
| Complexity | 577.8422 |
Chemical Identifiers
| CAS Number | 79513-89-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NC(=O)NC2=CC=C(C=C2)Cl |
Product Overview
1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea (CAS 79513-89-6), with molecular formula C13H13ClN4O and molecular weight 276.08 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea.
Chemical Property Profile of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea
Property Insights of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea
The XLogP value of 3.39084 indicates that 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea has 2 hydrogen bond donor(s) and 3 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 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea?
The CAS number of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea is 79513-89-6.
What is the molecular formula of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea?
The molecular formula of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea is C13H13ClN4O.
What is the molecular weight of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea?
The molecular weight of 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea is 276.08 g/mol.
Where can I buy 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea?
You can request a quote for 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.