6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine
TL;DR: 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine (CAS 327168-45-6) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine
Also Known As: BAS 00327946, AE-848/31942037, 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine, 5-allyl-4-{4-nitroanilino}-6-methyl-2-(methylsulfanyl)pyrimidine, 5-allyl-6-methyl-2-(methylthio)-N-(4-nitrophenyl)pyrimidin-4-amine
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 3.88722 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 701.4338 |
Chemical Identifiers
| CAS Number | 327168-45-6 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)[N+](=O)[O-])CC=C |
Product Overview
6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine (CAS 327168-45-6), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine.
Chemical Property Profile of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine
Property Insights of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine
The XLogP value of 3.88722 indicates that 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine. Following Lipinski's Rule of Five, 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine 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 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine?
The CAS number of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine is 327168-45-6.
What is the molecular formula of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine?
The molecular formula of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine is C15H16N4O2S.
What is the molecular weight of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine?
The molecular weight of 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine is 316.10 g/mol.
Where can I buy 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine?
You can request a quote for 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-methylsulfanyl-N-(4-nitrophenyl)-5-prop-2-enylpyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.