2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
TL;DR: 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-65-6) 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.
4-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-2-amine
Also Known As: 4-Methyl-6-((3-pyridinylmethyl)thio)-2-pyrimidinamine N-oxide, 2-Amino-6-methyl-4-(N-oxidopyridyl-3-methyl)thiopyrimidine, 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide, 4-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-2-amine, RefChem:266689
| 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 | 71208-65-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N)SCC2=C[N+](=CC=C2)[O-] |
Product Overview
2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide (CAS 71208-65-6), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: 4-methyl-6-[(1-oxidopyridin-1-ium-3-yl)methylsulfanyl]pyrimidin-2-amine.
Chemical Property Profile of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
Property Insights of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide
The XLogP value of 1.29292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide. The TPSA of 78.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide. Following Lipinski's Rule of Five, 2-Pyrimidinamine, 4-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 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The CAS number of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is 71208-65-6.
What is the molecular formula of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular formula of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is C11H12N4OS.
What is the molecular weight of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
The molecular weight of 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide is 248.07 g/mol.
Where can I buy 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
You can request a quote for 2-Pyrimidinamine, 4-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 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, 4-methyl-6-((3-pyridinylmethyl)thio)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.