4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine
TL;DR: 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine (CAS 6330-45-6) is a chemical compound with molecular formula C11H8Cl3N3 and molecular weight 286.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trichloro-N-methyl-N-phenylpyrimidin-2-amine
Also Known As: 2-(N-Tosyl-N-methyl)-aminobenzaldehyd, 2-(N-Methyl-N-tosylamino)benzaldehyd, 4,5,6-trichloro-n-methyl-n-phenylpyrimidin-2-amine
| Molecular Formula | C11H8Cl3N3 |
|---|---|
| Molecular Weight | 286.98 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.9784 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6330-45-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl |
| InChIKey | JIEHWTLSEMCMGQ-UHFFFAOYSA-N |
Product Overview
4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine (CAS 6330-45-6), with molecular formula C11H8Cl3N3 and molecular weight 286.98 g/mol. IUPAC: 4,5,6-trichloro-N-methyl-N-phenylpyrimidin-2-amine.
Chemical Property Profile of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine
Property Insights of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine
The XLogP value of 4.8 indicates that 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.0 Ų, 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine has 0 hydrogen bond donor(s) and 3 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 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine?
The CAS number of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine is 6330-45-6.
What is the molecular formula of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine?
The molecular formula of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine is C11H8Cl3N3.
What is the molecular weight of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine?
The molecular weight of 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine is 286.98 g/mol.
Where can I buy 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine?
You can request a quote for 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6-Trichloro-n-methyl-n-phenylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.