5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
TL;DR: 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid (CAS 4116-23-8) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(dimethylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Also Known As: 5-dimethylaminoisophthalonitrile, 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid, 2880AE, 5-((dimethylamino)methyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, BB 0238459
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | -1.177 |
| Topological Polar Surface Area | 106.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 485.39554 |
Chemical Identifiers
| CAS Number | 4116-23-8 |
|---|---|
| SMILES | CN(C)CC1=C(NC(=O)NC1=O)C(=O)O |
Product Overview
5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid (CAS 4116-23-8), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: 5-[(dimethylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
Property Insights of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
The XLogP value of -1.177 indicates that 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid. Following Lipinski's Rule of Five, 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 4 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-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid?
The CAS number of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid is 4116-23-8.
What is the molecular formula of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid?
The molecular formula of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid is C8H11N3O4.
What is the molecular weight of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid?
The molecular weight of 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid is 213.07 g/mol.
Where can I buy 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid?
You can request a quote for 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Dimethylaminomethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.