![1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure](/static/products/863/863003-33-2.png)
1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
TL;DR: 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-33-2) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.4087 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1196.6927 |
Chemical Identifiers
| CAS Number | 863003-33-2 |
|---|---|
| SMILES | CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC(=O)N4CCCC4)C(=O)N(C1=O)C |
Product Overview
1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione (CAS 863003-33-2), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 1,3-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Property Insights of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.4087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione has 0 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 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The CAS number of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 863003-33-2.
What is the molecular formula of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C20H21N5O3S.
What is the molecular weight of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 411.14 g/mol.
Where can I buy 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-7-phenylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.