N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
TL;DR: N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide (CAS 891100-70-2) is a chemical compound with molecular formula C13H12FN3O2S and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
Also Known As: AB00678412-01, F2501-0106, N-(4-fluorophenyl)-1-methyl-2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide, N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide, N-(4-fluorophenyl)-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
| Molecular Formula | C13H12FN3O2S |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 1.8936 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06342 |
| Heavy Atoms | 20 |
| Complexity | 697.75275 |
Chemical Identifiers
| CAS Number | 891100-70-2 |
|---|---|
| SMILES | CN1C(=O)C(=CN=C1SC)C(=O)NC2=CC=C(C=C2)F |
Product Overview
N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide (CAS 891100-70-2), with molecular formula C13H12FN3O2S and molecular weight 293.06 g/mol. IUPAC: N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide.
Chemical Property Profile of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
Property Insights of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
The XLogP value of 1.8936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide has 1 hydrogen bond donor(s) and 4 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-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The CAS number of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide is 891100-70-2.
What is the molecular formula of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The molecular formula of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide is C13H12FN3O2S.
What is the molecular weight of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The molecular weight of N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide is 293.06 g/mol.
Where can I buy N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
You can request a quote for N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-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-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.