4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
TL;DR: 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-66-7) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-4-amine
Also Known As: 2-Methyl-6-((3-pyridinylmethyl)thio)-4-pyrimidinamine N-oxide, 6-Amino-2-methyl-4-(N-oxidopyridyl-3-methyl)thiopyrimidine, 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide, 2-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-4-amine, RefChem:296089
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 1.29292 |
| Topological Polar Surface Area | 78.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 512.37994 |
Chemical Identifiers
| CAS Number | 71208-66-7 |
|---|---|
| SMILES | CC1=NC(=CC(=N1)SCC2=C[N+](=CC=C2)[O-])N |
Product Overview
4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-66-7), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 2-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-4-amine.
Chemical Property Profile of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
Property Insights of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
The XLogP value of 1.29292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide. The TPSA of 78.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide. Following Lipinski's Rule of Five, 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide 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-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The CAS number of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is 71208-66-7.
What is the molecular formula of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular formula of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is C11H12N4OS.
What is the molecular weight of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular weight of 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is 248.07 g/mol.
Where can I buy 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
You can request a quote for 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinamine, 2-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.