6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid
TL;DR: 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid (CAS 13164-79-9) 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.
4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 5-Propyl-2-mercapto-6-amino-4-carboxypyrimidin, 4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid, 6-Amino-5-propyl-2-thioxo-2,3-dihydropyrimidine-4-carboxylic acid, 6-Amino-5-propyl-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C8H11N3O2S |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.37209 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.0572 |
| Heavy Atoms | 14 |
| Complexity | 413.5377 |
Chemical Identifiers
| CAS Number | 13164-79-9 |
|---|---|
| SMILES | CCCC1=C(NC(=S)N=C1N)C(=O)O |
Product Overview
6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid (CAS 13164-79-9), with molecular formula C8H11N3O2S and molecular weight 213.06 g/mol. IUPAC: 4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid
Property Insights of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid
The XLogP value of 1.37209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid has 3 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 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid?
The CAS number of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid is 13164-79-9.
What is the molecular formula of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid?
The molecular formula of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid is C8H11N3O2S.
What is the molecular weight of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid?
The molecular weight of 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid is 213.06 g/mol.
Where can I buy 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid?
You can request a quote for 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-propyl-2-sulfanylidene-3H-pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.