N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine
TL;DR: N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine (CAS 400086-79-5) is a chemical compound with molecular formula C12H10F3N3S and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
Also Known As: N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine, N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine, N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
| Molecular Formula | C12H10F3N3S |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 3.6883 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.05475 |
| Heavy Atoms | 19 |
| Complexity | 557.89124 |
Chemical Identifiers
| CAS Number | 400086-79-5 |
|---|---|
| SMILES | CNC1=NC(=CC(=N1)SC2=CC=CC=C2)C(F)(F)F |
Product Overview
N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine (CAS 400086-79-5), with molecular formula C12H10F3N3S and molecular weight 285.05 g/mol. IUPAC: N-methyl-4-phenylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine.
Chemical Property Profile of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine
Property Insights of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine
The XLogP value of 3.6883 indicates that N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-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 N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The CAS number of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine is 400086-79-5.
What is the molecular formula of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular formula of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine is C12H10F3N3S.
What is the molecular weight of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular weight of N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine is 285.05 g/mol.
Where can I buy N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine?
You can request a quote for N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-(phenylsulfanyl)-6-(trifluoromethyl)-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.