![2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine structure](/static/products/6851/685107-79-3.webp)
2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine
TL;DR: 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine (CAS 685107-79-3) is a chemical compound with molecular formula C13H11N5 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine
Also Known As: 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine, 2-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine, 5T-0297, Pyrimidine, 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-
| Molecular Formula | C13H11N5 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.03272 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.10144 |
| Heavy Atoms | 18 |
| Complexity | 643.40814 |
Chemical Identifiers
| CAS Number | 685107-79-3 |
|---|---|
| SMILES | CC1=NC=CC(=N1)C2=CC=C(C=C2)N3C=NC=N3 |
Product Overview
2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine (CAS 685107-79-3), with molecular formula C13H11N5 and molecular weight 237.10 g/mol. IUPAC: 2-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidine.
Chemical Property Profile of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine
Property Insights of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine
The XLogP value of 2.03272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine. With a topological polar surface area (TPSA) of 56.49 Ų, 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine has 0 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 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine?
The CAS number of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine is 685107-79-3.
What is the molecular formula of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine?
The molecular formula of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine is C13H11N5.
What is the molecular weight of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine?
The molecular weight of 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine is 237.10 g/mol.
Where can I buy 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine?
You can request a quote for 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.