![N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide structure](/static/products/578/578754-46-8.png)
N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide
TL;DR: N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide (CAS 578754-46-8) is a chemical compound with molecular formula C15H12F3N5O4 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
Also Known As: N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide, N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide, N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide
| Molecular Formula | C15H12F3N5O4 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | -0.3813 |
| Topological Polar Surface Area | 115.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.08414 |
| Heavy Atoms | 27 |
| Complexity | 1073.8307 |
Chemical Identifiers
| CAS Number | 578754-46-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)C(C(=O)N2)(C(F)(F)F)NC(=O)C3=CN=CC=C3 |
Product Overview
N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide (CAS 578754-46-8), with molecular formula C15H12F3N5O4 and molecular weight 383.08 g/mol. IUPAC: N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-3-carboxamide.
Chemical Property Profile of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide
Property Insights of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide
The XLogP value of -0.3813 indicates that N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide. Following Lipinski's Rule of Five, N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide has 2 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 N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide?
The CAS number of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide is 578754-46-8.
What is the molecular formula of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide?
The molecular formula of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide is C15H12F3N5O4.
What is the molecular weight of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide?
The molecular weight of N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide is 383.08 g/mol.
Where can I buy N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide?
You can request a quote for N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.