![6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione structure](/static/products/577/577762-21-1.png)
6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
TL;DR: 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 577762-21-1) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
Also Known As: 6-tert-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione, 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 6-(tert-butyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
| Molecular Formula | C12H17N3O2 |
|---|---|
| Molecular Weight | 235.13 g/mol |
| LogP | 0.7937 |
| Topological Polar Surface Area | 48.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.13208 |
| Heavy Atoms | 17 |
| Complexity | 695.3249 |
Chemical Identifiers
| CAS Number | 577762-21-1 |
|---|---|
| SMILES | CC(C)(C)N1C=C2C(=C1)N(C(=O)N(C2=O)C)C |
Product Overview
6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione (CAS 577762-21-1), with molecular formula C12H17N3O2 and molecular weight 235.13 g/mol. IUPAC: 6-tert-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
Chemical Property Profile of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Property Insights of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
The XLogP value of 0.7937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione. With a topological polar surface area (TPSA) of 48.93 Ų, 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione has 0 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 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The CAS number of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 577762-21-1.
What is the molecular formula of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular formula of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is C12H17N3O2.
What is the molecular weight of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
The molecular weight of 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione is 235.13 g/mol.
Where can I buy 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
You can request a quote for 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.