3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
TL;DR: 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile (CAS 2864-27-9) is a chemical compound with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dioxopyrimidin-1-yl)propanenitrile
Also Known As: 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile, 1-(2-cyanoethyl)uracil, 3-(2,4-dioxopyrimidin-1-yl)propanenitrile, J1.229.057H, 1-(2-Cyanoethyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C7H7N3O2 |
|---|---|
| Molecular Weight | 165.05 g/mol |
| LogP | -0.54972 |
| Topological Polar Surface Area | 78.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.05383 |
| Heavy Atoms | 12 |
| Complexity | 409.64017 |
Chemical Identifiers
| CAS Number | 2864-27-9 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CCC#N |
Product Overview
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile (CAS 2864-27-9), with molecular formula C7H7N3O2 and molecular weight 165.05 g/mol. IUPAC: 3-(2,4-dioxopyrimidin-1-yl)propanenitrile.
Chemical Property Profile of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
Property Insights of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
The XLogP value of -0.54972 indicates that 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile 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 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile?
The CAS number of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile is 2864-27-9.
What is the molecular formula of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile?
The molecular formula of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile is C7H7N3O2.
What is the molecular weight of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile?
The molecular weight of 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile is 165.05 g/mol.
Where can I buy 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile?
You can request a quote for 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.