1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 7465-66-9) is a chemical compound with molecular formula C6H5N3O2 and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-Methyl-5-cyanouracil, 5-cyano-1-methyluracil, 5-Cyano-6-Methyluracil, 1-methyl-2,4-dioxopyrimidine-5-carbonitrile
| Molecular Formula | C6H5N3O2 |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.03818 |
| Heavy Atoms | 11 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 7465-66-9 |
|---|---|
| SMILES | CN1C=C(C(=O)NC1=O)C#N |
| InChIKey | YTJSNMJWGAJURT-UHFFFAOYSA-N |
Product Overview
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 7465-66-9), with molecular formula C6H5N3O2 and molecular weight 151.04 g/mol. IUPAC: 1-methyl-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of -0.9 indicates that 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 7465-66-9.
What is the molecular formula of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C6H5N3O2.
What is the molecular weight of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 151.04 g/mol.
Where can I buy 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.