3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
TL;DR: 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid (CAS 1079-42-1) is a chemical compound with molecular formula C8H11N3O2S and molecular weight 213.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
Also Known As: NCIStruc1_000655, NCIStruc2_000520, 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid, EINECS 214-092-7, NCI60_042189
Technical Specifications
| Molecular Formula | C8H11N3O2S |
| Molecular Weight | 213.0572 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0572 Da |
| Heavy Atoms | 14 |
| Complexity | 346.0 |
| SMILES | CC1=C(C(=S)N=C(N1)N)CCC(=O)O |
| InChIKey | JJOFZKIXHUDVKL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
Property Insights of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid
The XLogP value of -0.6 indicates that 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The CAS number of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is 1079-42-1.
What is the molecular formula of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The molecular formula of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is C8H11N3O2S.
What is the molecular weight of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
The molecular weight of 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid is 213.0572 g/mol.
Where can I buy 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
You can request a quote for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(2-Amino-4-mercapto-6-methyl-5-pyrimidinyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.