![1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea structure](/static/products/6697/669719-99-7.webp)
1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea
TL;DR: 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea (CAS 669719-99-7) is a chemical compound with molecular formula C21H20N8O and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl]phenyl]-3-phenylurea
Also Known As: 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea, 1-(4-(3-((4,6-dimethylpyrimidin-2-yl)amino)-1H-1,2,4-triazol-5-yl)phenyl)-3-phenylurea, 1-[4-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl]phenyl]-3-phenylurea, 3-(4-{3-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]-1H-1,2,4-TRIAZOL-5-YL}PHENYL)-1-PHENYLUREA, N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino](1H-1,2,4-triazol-5-yl)}phenyl)(phe nylamino)carboxamide
| Molecular Formula | C21H20N8O |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.26614 |
| Topological Polar Surface Area | 120.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.176 |
| Heavy Atoms | 30 |
| Complexity | 1135.1122 |
Chemical Identifiers
| CAS Number | 669719-99-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=NNC(=N2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4)C |
Product Overview
1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea (CAS 669719-99-7), with molecular formula C21H20N8O and molecular weight 400.18 g/mol. IUPAC: 1-[4-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl]phenyl]-3-phenylurea.
Chemical Property Profile of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea
Property Insights of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea
The XLogP value of 4.26614 indicates that 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea has 4 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 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea?
The CAS number of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea is 669719-99-7.
What is the molecular formula of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea?
The molecular formula of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea is C21H20N8O.
What is the molecular weight of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea?
The molecular weight of 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea is 400.18 g/mol.
Where can I buy 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea?
You can request a quote for 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.