4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
TL;DR: 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile (CAS 33097-14-2) is a chemical compound with molecular formula C6H5ClN4S and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-amino-6-chloro-2-(methylthio)pyrimidine-5-carbonitrile, 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile, 4-amino-2-methylthio-6-chloropyrimidine-5-carbonitrile, 4-amino-6-chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile, 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile
| Molecular Formula | C6H5ClN4S |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 1.30578 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.99234 |
| Heavy Atoms | 12 |
| Complexity | 322.8867 |
Chemical Identifiers
| CAS Number | 33097-14-2 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C#N)N |
Product Overview
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile (CAS 33097-14-2), with molecular formula C6H5ClN4S and molecular weight 199.99 g/mol. IUPAC: 4-amino-6-chloro-2-methylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
Property Insights of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
The XLogP value of 1.30578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 5 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-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile?
The CAS number of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile is 33097-14-2.
What is the molecular formula of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile?
The molecular formula of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile is C6H5ClN4S.
What is the molecular weight of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile?
The molecular weight of 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile is 199.99 g/mol.
Where can I buy 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile?
You can request a quote for 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.