![3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide structure](/static/products/878/878457-89-7.png)
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
TL;DR: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CAS 878457-89-7) is a chemical compound with molecular formula C22H30N4OS and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
Also Known As: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide, 3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]-N-({2-[(pyrrolidin-1-yl)methyl]phenyl}methyl)propanamide
| Molecular Formula | C22H30N4OS |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 3.66014 |
| Topological Polar Surface Area | 58.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.21402 |
| Heavy Atoms | 28 |
| Complexity | 794.9292 |
Chemical Identifiers
| CAS Number | 878457-89-7 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=CC=C2CN3CCCC3 |
Product Overview
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide (CAS 878457-89-7), with molecular formula C22H30N4OS and molecular weight 398.21 g/mol. IUPAC: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide.
Chemical Property Profile of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
Property Insights of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
The XLogP value of 3.66014 indicates that 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.12 Ų, 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide has 1 hydrogen bond donor(s) and 5 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 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The CAS number of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is 878457-89-7.
What is the molecular formula of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The molecular formula of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is C22H30N4OS.
What is the molecular weight of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
The molecular weight of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide is 398.21 g/mol.
Where can I buy 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
You can request a quote for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.