N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide
TL;DR: N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide (CAS 301342-74-5) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)methyl]benzamide
Also Known As: N-((2-MERCAPTO-4-METHYL-6-OXO-1(6H)-PYRIMIDINYL)METHYL)BENZAMIDE, N-[(4-methyl-6-oxo-2-sulfanylhydropyrimidinyl)methyl]benzamide, N-((2-mercapto-4-methyl-6-oxopyrimidin-1(6H)-yl)methyl)benzamide, N-[(2-mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl]benzamide, N-[(4-methyl-6-oxo-2-sulfanylpyrimidin-1(6H)-yl)methyl]benzamide
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 301342-74-5 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=S)N1)CNC(=O)C2=CC=CC=C2 |
| InChIKey | NJAHJZIAJNUJIC-UHFFFAOYSA-N |
Product Overview
N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide (CAS 301342-74-5), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: N-[(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-3-yl)methyl]benzamide.
Chemical Property Profile of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide
Property Insights of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide. Following Lipinski's Rule of Five, N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide has 2 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-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide?
The CAS number of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide is 301342-74-5.
What is the molecular formula of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide?
The molecular formula of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide is C13H13N3O2S.
What is the molecular weight of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide?
The molecular weight of N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide is 275.07 g/mol.
Where can I buy N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide?
You can request a quote for N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-Mercapto-4-methyl-6-oxo-1(6H)-pyrimidinyl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.