![{[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid structure](/static/products/833/83329-13-9.png)
{[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid
TL;DR: {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid (CAS 83329-13-9) is a chemical compound with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]acetic acid
Also Known As: J1.997.032I, 2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]acetic acid, {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid, 2-{[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid, 2-Methyl-4-amino-5-(carboxymethylthiomethyl)pyrimidine
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 83329-13-9 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)CSCC(=O)O |
| InChIKey | YABXVJPOKWEDNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
{[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid (CAS 83329-13-9), with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol. IUPAC: 2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid
Property Insights of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid 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 {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The CAS number of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid is 83329-13-9.
What is the molecular formula of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The molecular formula of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid is C8H11N3O2S.
What is the molecular weight of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid?
The molecular weight of {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid is 213.06 g/mol.
Where can I buy {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid?
You can request a quote for {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.