![1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione structure](/static/products/893/893393-35-6.png)
1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
TL;DR: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 893393-35-6) is a chemical compound with molecular formula C18H25N5O3S and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Also Known As: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione, 1,3-dimethyl-7-(2-methylpropyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione, 7-isobutyl-1,3-dimethyl-5-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, REGID_for_CID_7475824
| Molecular Formula | C18H25N5O3S |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 0.9402 |
| Topological Polar Surface Area | 90.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.16782 |
| Heavy Atoms | 27 |
| Complexity | 989.12537 |
Chemical Identifiers
| CAS Number | 893393-35-6 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C(=N1)SCC(=O)N3CCCC3)C(=O)N(C(=O)N2C)C |
Product Overview
1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione (CAS 893393-35-6), with molecular formula C18H25N5O3S and molecular weight 391.17 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
Property Insights of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
The XLogP value of 0.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione. The TPSA of 90.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-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-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The CAS number of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione is 893393-35-6.
What is the molecular formula of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular formula of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione is C18H25N5O3S.
What is the molecular weight of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The molecular weight of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione is 391.17 g/mol.
Where can I buy 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
You can request a quote for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-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-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.