5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one
TL;DR: 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one (CAS 72716-93-9) is a chemical compound with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide
Also Known As: EINECS 276-781-9, 5-[methyl]-2-1h-pyrimidin-4-one, 5-[ methyl]-2- -1H-pyrimidin-4-one, 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one, 2-nitroamino-5-(6-methylpyrid-3-ylmethyl)-4(1H)-pyrimidone
| Molecular Formula | C11H11N5O3 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 0.66772 |
| Topological Polar Surface Area | 113.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08618 |
| Heavy Atoms | 19 |
| Complexity | 650.12537 |
Chemical Identifiers
| CAS Number | 72716-93-9 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC2=CN=C(NC2=O)N[N+](=O)[O-] |
Product Overview
5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one (CAS 72716-93-9), with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol. IUPAC: N-[5-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyrimidin-2-yl]nitramide.
Chemical Property Profile of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one
Property Insights of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one
The XLogP value of 0.66772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one. The TPSA of 113.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one has 2 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-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one?
The CAS number of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one is 72716-93-9.
What is the molecular formula of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one?
The molecular formula of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one is C11H11N5O3.
What is the molecular weight of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one?
The molecular weight of 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one is 261.09 g/mol.
Where can I buy 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one?
You can request a quote for 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.