N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
TL;DR: N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 866137-66-8) is a chemical compound with molecular formula C14H12F3N3O and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Also Known As: N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide, N-benzyl-2-methyl-4-(trifluoromethyl)-5-pyrimidinecarboxamide, 8W-0205
| Molecular Formula | C14H12F3N3O |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 2.73382 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.09326 |
| Heavy Atoms | 21 |
| Complexity | 641.65765 |
Chemical Identifiers
| CAS Number | 866137-66-8 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)C(F)(F)F)C(=O)NCC2=CC=CC=C2 |
Product Overview
N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CAS 866137-66-8), with molecular formula C14H12F3N3O and molecular weight 295.09 g/mol. IUPAC: N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
Chemical Property Profile of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
Property Insights of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
The XLogP value of 2.73382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has 1 hydrogen bond donor(s) and 3 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-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The CAS number of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is 866137-66-8.
What is the molecular formula of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular formula of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is C14H12F3N3O.
What is the molecular weight of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The molecular weight of N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is 295.09 g/mol.
Where can I buy N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
You can request a quote for N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.