![N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide structure](/static/products/879/879614-30-9.png)
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide
TL;DR: N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide (CAS 879614-30-9) is a chemical compound with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-methylpropanamide
Also Known As: N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide, (1E)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-1-{[2-(5-chloroindol-3-yl)ethyl]ami no}-4-methyl-2-azapent-1-en-3-one, (E)-N-(((2-(5-chloro-1H-indol-3-yl)ethyl)amino)((4,6-dimethylpyrimidin-2-yl)amino)methylene)isobutyramide, N-[(E)-{[2-(5-CHLORO-1H-INDOL-3-YL)ETHYL]AMINO}[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]METHYLIDENE]-2-METHYLPROPANAMIDE, N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-methylpropanamide
| Molecular Formula | C21H25ClN6O |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 4.01094 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.17783 |
| Heavy Atoms | 29 |
| Complexity | 1036.256 |
Chemical Identifiers
| CAS Number | 879614-30-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC(=NCCC2=CNC3=C2C=C(C=C3)Cl)NC(=O)C(C)C)C |
Product Overview
N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide (CAS 879614-30-9), with molecular formula C21H25ClN6O and molecular weight 412.18 g/mol. IUPAC: N-[N'-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]-2-methylpropanamide.
Chemical Property Profile of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide
Property Insights of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide
The XLogP value of 4.01094 indicates that N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide. Following Lipinski's Rule of Five, N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide has 3 hydrogen bond donor(s) and 4 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 N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide?
The CAS number of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide is 879614-30-9.
What is the molecular formula of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide?
The molecular formula of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide is C21H25ClN6O.
What is the molecular weight of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide?
The molecular weight of N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide is 412.18 g/mol.
Where can I buy N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide?
You can request a quote for N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-{[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.