![2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide structure](/static/products/893/893769-01-2.png)
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
TL;DR: 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide (CAS 893769-01-2) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
Also Known As: 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide, A4086/0174179, 2-[[6-Amino-1,4-dihydro-4-oxo-1-(2-phenylethyl)-2-pyrimidinyl]thio]-N-(2-cyanophenyl)acetamide, 2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide, 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 2.67068 |
| Topological Polar Surface Area | 113.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1106.0446 |
Chemical Identifiers
| CAS Number | 893769-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)N |
Product Overview
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide (CAS 893769-01-2), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide.
Chemical Property Profile of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Property Insights of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
The XLogP value of 2.67068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide. The TPSA of 113.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide has 2 hydrogen bond donor(s) and 6 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 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The CAS number of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is 893769-01-2.
What is the molecular formula of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The molecular formula of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is C21H19N5O2S.
What is the molecular weight of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The molecular weight of 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is 405.13 g/mol.
Where can I buy 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
You can request a quote for 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.