Pyrimitate
TL;DR: Pyrimitate (CAS 5221-49-8) is a chemical compound with molecular formula C11H20N3O3PS and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
Also Known As: Pyrimitate, Diothyl, Pyrimital, Pirimitato, Pyrimitatum
| Molecular Formula | C11H20N3O3PS |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.0963 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 5221-49-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)N(C)C |
| InChIKey | MLDVVJZNWASRQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimitate (CAS 5221-49-8), with molecular formula C11H20N3O3PS and molecular weight 305.10 g/mol. IUPAC: 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine.
Chemical Property Profile of Pyrimitate
Property Insights of Pyrimitate
The XLogP value of 4.1 indicates that Pyrimitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimitate. Following Lipinski's Rule of Five, Pyrimitate has 0 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 Pyrimitate?
The CAS number of Pyrimitate is 5221-49-8.
What is the molecular formula of Pyrimitate?
The molecular formula of Pyrimitate is C11H20N3O3PS.
What is the molecular weight of Pyrimitate?
The molecular weight of Pyrimitate is 305.10 g/mol.
Where can I buy Pyrimitate?
You can request a quote for Pyrimitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimitate?
Yes, KEHONG BIO provides custom synthesis services for Pyrimitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.