![1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione structure](/static/products/536/53680-91-4.png)
1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione
TL;DR: 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione (CAS 53680-91-4) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Also Known As: 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione, 2-ethyl-2,4,9-triazabicyclo[4.3.0]nona-7,10-diene-3,5-dione
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 0.0378 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 546.2499 |
Chemical Identifiers
| CAS Number | 53680-91-4 |
|---|---|
| SMILES | CCN1C2=C(C=CN2)C(=O)NC1=O |
Product Overview
1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione (CAS 53680-91-4), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: 1-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
Chemical Property Profile of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione
Property Insights of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione
The XLogP value of 0.0378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione. Following Lipinski's Rule of Five, 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione has 2 hydrogen bond donor(s) and 2 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-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione?
The CAS number of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione is 53680-91-4.
What is the molecular formula of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione?
The molecular formula of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione is C8H9N3O2.
What is the molecular weight of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione?
The molecular weight of 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione is 179.07 g/mol.
Where can I buy 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione?
You can request a quote for 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.