5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine
TL;DR: 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine (CAS 861206-80-6) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-4-methylpyrimidin-2-amine
Also Known As: 5-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrimidinamine, 5-(2H-1,3-benzodioxol-5-yl)-4-methylpyrimidin-2-amine, 5-(1,3-benzodioxol-5-yl)-4-methylpyrimidin-2-amine, 2-Pyrimidinamine, 5-(1,3-benzodioxol-5-yl)-4-methyl, 5-(1,3-benzodioxol-5-yl)-4-methyl-pyrimidin-2-amine
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.76292 |
| Topological Polar Surface Area | 70.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 583.95856 |
Chemical Identifiers
| CAS Number | 861206-80-6 |
|---|---|
| SMILES | CC1=NC(=NC=C1C2=CC3=C(C=C2)OCO3)N |
Product Overview
5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine (CAS 861206-80-6), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-4-methylpyrimidin-2-amine.
Chemical Property Profile of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine
Property Insights of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine
The XLogP value of 1.76292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine. The TPSA of 70.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-4-methyl-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 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine is 861206-80-6.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine is C12H11N3O2.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine is 229.09 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-4-methyl-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.