![4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine structure](/static/products/6851/685106-75-6.webp)
4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine
TL;DR: 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine (CAS 685106-75-6) is a chemical compound with molecular formula C12H10N6 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
Also Known As: 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine, 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine, 4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine, 4T-0301
| Molecular Formula | C12H10N6 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.3065 |
| Topological Polar Surface Area | 82.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0967 |
| Heavy Atoms | 18 |
| Complexity | 644.5942 |
Chemical Identifiers
| CAS Number | 685106-75-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)N)N3C=NC=N3 |
Product Overview
4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine (CAS 685106-75-6), with molecular formula C12H10N6 and molecular weight 238.10 g/mol. IUPAC: 4-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.
Chemical Property Profile of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine
Property Insights of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine
The XLogP value of 1.3065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine. The TPSA of 82.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine. Following Lipinski's Rule of Five, 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine has 1 hydrogen bond donor(s) and 5 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-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine?
The CAS number of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine is 685106-75-6.
What is the molecular formula of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine?
The molecular formula of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine is C12H10N6.
What is the molecular weight of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine?
The molecular weight of 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine is 238.10 g/mol.
Where can I buy 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine?
You can request a quote for 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(1H-1,2,4-triazol-1-yl)phenyl]-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.