2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
TL;DR: 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 1748-63-6) is a chemical compound with molecular formula C5H5N3O and molecular weight 123.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile
Also Known As: 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 5-cyano-dihydropyrimidinone, 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile, 2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile, 4E-021
| Molecular Formula | C5H5N3O |
|---|---|
| Molecular Weight | 123.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.04326 |
| Heavy Atoms | 9 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 1748-63-6 |
|---|---|
| SMILES | C1C(=CNC(=O)N1)C#N |
| InChIKey | YPAXHFPJSHIUAN-UHFFFAOYSA-N |
Product Overview
2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 1748-63-6), with molecular formula C5H5N3O and molecular weight 123.04 g/mol. IUPAC: 2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
Property Insights of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
The XLogP value of -1.2 indicates that 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 2 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 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The CAS number of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 1748-63-6.
What is the molecular formula of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular formula of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is C5H5N3O.
What is the molecular weight of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
The molecular weight of 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is 123.04 g/mol.
Where can I buy 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
You can request a quote for 2-Oxo-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 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.