![N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine structure](/static/products/7276/727664-63-3.webp)
N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
TL;DR: N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine (CAS 727664-63-3) is a chemical compound with molecular formula C15H15ClN6O and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
Also Known As: N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine, 2-Pyrimidinamine, N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethyl-, A3737/0158352, N-{5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl}-4,6-dimethylpyrimidin-2-amine, N-(5-((4-chlorophenoxy)methyl)-1H-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
| Molecular Formula | C15H15ClN6O |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.09958 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 727664-63-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=NNC(=N2)COC3=CC=C(C=C3)Cl)C |
| InChIKey | DZPSKVLJXKFCNG-UHFFFAOYSA-N |
Product Overview
N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine (CAS 727664-63-3), with molecular formula C15H15ClN6O and molecular weight 330.10 g/mol. IUPAC: N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine.
Chemical Property Profile of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
Property Insights of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine
The XLogP value of 3.4 indicates that N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine. Following Lipinski's Rule of Five, N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine has 2 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 N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine?
The CAS number of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine is 727664-63-3.
What is the molecular formula of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine?
The molecular formula of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine is C15H15ClN6O.
What is the molecular weight of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine?
The molecular weight of N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine is 330.10 g/mol.
Where can I buy N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine?
You can request a quote for N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-4,6-dimethylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.