5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile
TL;DR: 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile (CAS 41349-15-9) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dioxopyrimidin-1-yl)pentanenitrile
Also Known As: 1-carboxymethyl uracil, 1-(4-cyanobutyl)uracil, NCIOpen2_000920, 5-(2,4-dioxopyrimidin-1-yl)pentanenitrile, 5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile
| Molecular Formula | C9H11N3O2 |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.08513 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 41349-15-9 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CCCCC#N |
| InChIKey | SVRQAJYMXPWCJT-UHFFFAOYSA-N |
Product Overview
5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile (CAS 41349-15-9), with molecular formula C9H11N3O2 and molecular weight 193.09 g/mol. IUPAC: 5-(2,4-dioxopyrimidin-1-yl)pentanenitrile.
Chemical Property Profile of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile
Property Insights of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile
The XLogP value of -0.4 indicates that 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile. Following Lipinski's Rule of Five, 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile has 1 hydrogen bond donor(s) and 3 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-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile?
The CAS number of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile is 41349-15-9.
What is the molecular formula of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile?
The molecular formula of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile is C9H11N3O2.
What is the molecular weight of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile?
The molecular weight of 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile is 193.09 g/mol.
Where can I buy 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile?
You can request a quote for 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.