4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
TL;DR: 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile (CAS 16462-29-6) is a chemical compound with molecular formula C7H8N4S and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-ethylsulfanylpyrimidine-5-carbonitrile
Also Known As: 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile, 4-Amino-2-ethylsulfanyl-pyrimidine-5-carbonitrile, 4-amino-2-(ethylthio)pyrimidine-5-carbonitrile, 4-Amino-2-ethylsulfanylpyrimidine-5-carbonitrile, 4-Amino-2-ethylsulfanyl-pyrimidine
| Molecular Formula | C7H8N4S |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.04248 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04697 |
| Heavy Atoms | 12 |
| Complexity | 317.67267 |
Chemical Identifiers
| CAS Number | 16462-29-6 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)N)C#N |
Product Overview
4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile (CAS 16462-29-6), with molecular formula C7H8N4S and molecular weight 180.05 g/mol. IUPAC: 4-amino-2-ethylsulfanylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
Property Insights of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile
The XLogP value of 1.04248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 4-Amino-2-(ethylthio)-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-2-(ethylthio)-5-pyrimidinecarbonitrile?
The CAS number of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile is 16462-29-6.
What is the molecular formula of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile?
The molecular formula of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile is C7H8N4S.
What is the molecular weight of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile?
The molecular weight of 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile is 180.05 g/mol.
Where can I buy 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile?
You can request a quote for 4-Amino-2-(ethylthio)-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-2-(ethylthio)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(ethylthio)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.