4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine
TL;DR: 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine (CAS 685106-65-4) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
Also Known As: 4-(1,3-benzodioxol-5-yl)pyrimidin-2-amine, 4-(1,3-benzodioxol-5-yl)-2-pyrimidinamine, 4-(benzo[d][1,3]dioxol-5-yl)pyrimidin-2-amine, 4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-amine, 4T-0223
| Molecular Formula | C11H9N3O2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 1.4545 |
| Topological Polar Surface Area | 70.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.06947 |
| Heavy Atoms | 16 |
| Complexity | 542.5029 |
Chemical Identifiers
| CAS Number | 685106-65-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=NC=C3)N |
Product Overview
4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine (CAS 685106-65-4), with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)pyrimidin-2-amine.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine
Property Insights of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine
The XLogP value of 1.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine. The TPSA of 70.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine 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-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine?
The CAS number of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine is 685106-65-4.
What is the molecular formula of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine?
The molecular formula of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine is C11H9N3O2.
What is the molecular weight of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine?
The molecular weight of 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine is 215.07 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine?
You can request a quote for 4-(1,3-Benzodioxol-5-yl)pyrimidin-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-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-yl)pyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.