4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
TL;DR: 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine (CAS 40765-72-8) is a chemical compound with molecular formula C6H7Cl2N3S and molecular weight 222.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
Also Known As: 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine, 4,6-dichloro-N-methyl-5-(methylsulfanyl)pyrimidin-2-amine, 9L-337S, 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine, 4,6-dichloro-2-(methylamino)-5-(methylthio)pyrimidine
| Molecular Formula | C6H7Cl2N3S |
|---|---|
| Molecular Weight | 222.97 g/mol |
| LogP | 2.547 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.97377 |
| Heavy Atoms | 12 |
| Complexity | 269.11685 |
Chemical Identifiers
| CAS Number | 40765-72-8 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)Cl)SC)Cl |
Product Overview
4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine (CAS 40765-72-8), with molecular formula C6H7Cl2N3S and molecular weight 222.97 g/mol. IUPAC: 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine.
Chemical Property Profile of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
Property Insights of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
The XLogP value of 2.547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine. With a topological polar surface area (TPSA) of 37.81 Ų, 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine has 1 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 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine?
The CAS number of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine is 40765-72-8.
What is the molecular formula of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine?
The molecular formula of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine is C6H7Cl2N3S.
What is the molecular weight of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine?
The molecular weight of 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine is 222.97 g/mol.
Where can I buy 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine?
You can request a quote for 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.