Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-
TL;DR: Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- (CAS 3601-76-1) is a chemical compound with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine
Also Known As: 2- PYRIMIDIN-4-AMINE, 3,6-dimethyl-hept-6-en-4-yn-3-ol, Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-, 4-Amino-2-(4-piperonyl-1-piperazinyl)pyrimidine, 5-25-12-00027 (Beilstein Handbook Reference)
| Molecular Formula | C16H19N5O2 |
|---|---|
| Molecular Weight | 313.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.15387 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 3601-76-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N |
| InChIKey | SXDWVNDEEDUJOF-UHFFFAOYSA-N |
Product Overview
Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- (CAS 3601-76-1), with molecular formula C16H19N5O2 and molecular weight 313.15 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine.
Chemical Property Profile of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-
Property Insights of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-. Following Lipinski's Rule of Five, Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- has 1 hydrogen bond donor(s) and 7 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 Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-?
The CAS number of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- is 3601-76-1.
What is the molecular formula of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-?
The molecular formula of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- is C16H19N5O2.
What is the molecular weight of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-?
The molecular weight of Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- is 313.15 g/mol.
Where can I buy Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-?
You can request a quote for Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4-amino-2-(4-piperonyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.