![4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine structure](/static/products/6851/685106-85-8.webp)
4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine
TL;DR: 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine (CAS 685106-85-8) is a chemical compound with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(1,3-benzodioxol-5-yloxy)ethyl]pyrimidin-2-amine
Also Known As: 4-[1-(1,3-benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine, 4-[1-(2H-1,3-benzodioxol-5-yloxy)ethyl]pyrimidin-2-amine, 4-[1-(1,3-benzodioxol-5-yloxy)ethyl]pyrimidin-2-amine, 4T-0330, 4-(1-(Benzo[d][1,3]dioxol-5-yloxy)ethyl)pyrimidin-2-amine
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.9275 |
| Topological Polar Surface Area | 79.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 603.4374 |
Chemical Identifiers
| CAS Number | 685106-85-8 |
|---|---|
| SMILES | CC(C1=NC(=NC=C1)N)OC2=CC3=C(C=C2)OCO3 |
Product Overview
4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine (CAS 685106-85-8), with molecular formula C13H13N3O3 and molecular weight 259.10 g/mol. IUPAC: 4-[1-(1,3-benzodioxol-5-yloxy)ethyl]pyrimidin-2-amine.
Chemical Property Profile of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine
Property Insights of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine
The XLogP value of 1.9275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine. The TPSA of 79.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine. Following Lipinski's Rule of Five, 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine has 1 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 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine?
The CAS number of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine is 685106-85-8.
What is the molecular formula of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine?
The molecular formula of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine is C13H13N3O3.
What is the molecular weight of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine?
The molecular weight of 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine is 259.10 g/mol.
Where can I buy 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine?
You can request a quote for 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-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-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(1,3-Benzodioxol-5-yloxy)ethyl]-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.