1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
TL;DR: 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone (CAS 1004479-12-2) is a chemical compound with molecular formula C21H26N6O and molecular weight 378.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[6-[3-(dimethylamino)propylamino]-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
Also Known As: 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone, 1-[1-(6-{[3-(dimethylamino)propyl]amino}-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl]ethanone, 1-[1-[6-(3-dimethylaminopropylamino)-2-phenyl-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone, 1-[1-[6-[3-(dimethylamino)propylamino]-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
| Molecular Formula | C21H26N6O |
|---|---|
| Molecular Weight | 378.22 g/mol |
| LogP | 3.20392 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.2168 |
| Heavy Atoms | 28 |
| Complexity | 948.7846 |
Chemical Identifiers
| CAS Number | 1004479-12-2 |
|---|---|
| SMILES | CC1=C(C=NN1C2=NC(=NC(=C2)NCCCN(C)C)C3=CC=CC=C3)C(=O)C |
Product Overview
1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone (CAS 1004479-12-2), with molecular formula C21H26N6O and molecular weight 378.22 g/mol. IUPAC: 1-[1-[6-[3-(dimethylamino)propylamino]-2-phenylpyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone.
Chemical Property Profile of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
Property Insights of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone
The XLogP value of 3.20392 indicates that 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone. Following Lipinski's Rule of Five, 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone has 1 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-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The CAS number of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 1004479-12-2.
What is the molecular formula of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The molecular formula of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is C21H26N6O.
What is the molecular weight of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
The molecular weight of 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone is 378.22 g/mol.
Where can I buy 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
You can request a quote for 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(6-((3-(dimethylamino)propyl)amino)-2-phenylpyrimidin-4-yl)-5-methyl-1H-pyrazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.