5-Nitro-6-(p-tolylthio)pyrimidin-4-amine
TL;DR: 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine (CAS 681271-75-0) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
Also Known As: 5-nitro-6-(p-tolylthio)pyrimidin-4-amine, 6-[(4-methylphenyl)sulfanyl]-5-nitropyrimidin-4-amine, 6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine, AB00355528-03, 6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.42662 |
| Topological Polar Surface Area | 94.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 586.0971 |
Chemical Identifiers
| CAS Number | 681271-75-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N |
Product Overview
5-Nitro-6-(p-tolylthio)pyrimidin-4-amine (CAS 681271-75-0), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: 6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine.
Chemical Property Profile of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine
Property Insights of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine
The XLogP value of 2.42662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine. The TPSA of 94.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine. Following Lipinski's Rule of Five, 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine has 1 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 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine?
The CAS number of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine is 681271-75-0.
What is the molecular formula of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine?
The molecular formula of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine is C11H10N4O2S.
What is the molecular weight of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine?
The molecular weight of 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine is 262.05 g/mol.
Where can I buy 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine?
You can request a quote for 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-6-(p-tolylthio)pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.