![1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine structure](/static/products/513/51387-68-9.png)
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine
TL;DR: 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine (CAS 51387-68-9) is a chemical compound with molecular formula C21H29ClF3N7 and molecular weight 471.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]guanidine
Also Known As: 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine, 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]guanidine
| Molecular Formula | C21H29ClF3N7 |
|---|---|
| Molecular Weight | 471.21 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.2125 |
| Heavy Atoms | 32 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 51387-68-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)C(F)(F)F)NCCN(C(C)C)C(C)C |
| InChIKey | DINNMQMTOABTAT-UHFFFAOYSA-N |
Product Overview
1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine (CAS 51387-68-9), with molecular formula C21H29ClF3N7 and molecular weight 471.21 g/mol. IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[di(propan-2-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]guanidine.
Chemical Property Profile of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine
Property Insights of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine
The XLogP value of 4.8 indicates that 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine. Following Lipinski's Rule of Five, 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine has 3 hydrogen bond donor(s) and 8 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-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine?
The CAS number of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine is 51387-68-9.
What is the molecular formula of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine?
The molecular formula of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine is C21H29ClF3N7.
What is the molecular weight of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine?
The molecular weight of 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine is 471.21 g/mol.
Where can I buy 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine?
You can request a quote for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-{[2-(dipropan-2-ylamino)ethyl]amino}-6-methylpyrimidin-2-yl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.