5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
TL;DR: 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- (CAS 98277-53-3) is a chemical compound with molecular formula C7H8N4S2 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
Also Known As: 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-, 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile, 4-Amino-2,6-bis(methylthio)pyrimidine-5-carbonitrile, 4-amino-2,6-dimethylthiopyrimidine-5-carbonitrile, J1.983.051I
| Molecular Formula | C7H8N4S2 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 1.37428 |
| Topological Polar Surface Area | 75.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.01904 |
| Heavy Atoms | 13 |
| Complexity | 358.24554 |
Chemical Identifiers
| CAS Number | 98277-53-3 |
|---|---|
| SMILES | CSC1=NC(=NC(=C1C#N)N)SC |
Product Overview
5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- (CAS 98277-53-3), with molecular formula C7H8N4S2 and molecular weight 212.02 g/mol. IUPAC: 4-amino-2,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
Property Insights of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-
The XLogP value of 1.37428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-. The TPSA of 75.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-. Following Lipinski's Rule of Five, 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- 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-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-?
The CAS number of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- is 98277-53-3.
What is the molecular formula of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-?
The molecular formula of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- is C7H8N4S2.
What is the molecular weight of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-?
The molecular weight of 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- is 212.02 g/mol.
Where can I buy 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-?
You can request a quote for 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Pyrimidinecarbonitrile, 4-amino-2,6-bis(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.