4-Hydroxy-2-methylpyrimidine-5-carbonitrile
TL;DR: 4-Hydroxy-2-methylpyrimidine-5-carbonitrile (CAS 272-23-1) is a chemical compound with molecular formula C6H5N3O and molecular weight 135.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
Also Known As: 4-Hydroxy-2-methylpyrimidine-5-carbonitrile, 2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile, 5-Pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-4-oxo- (8CI,9CI), 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, 4CH-003914
| Molecular Formula | C6H5N3O |
|---|---|
| Molecular Weight | 135.04 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04326 |
| Heavy Atoms | 10 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 272-23-1 |
|---|---|
| SMILES | CC1=NC=C(C(=O)N1)C#N |
| InChIKey | GSPKYRXUBCRKIF-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-2-methylpyrimidine-5-carbonitrile (CAS 272-23-1), with molecular formula C6H5N3O and molecular weight 135.04 g/mol. IUPAC: 2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile
Property Insights of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile
The XLogP value of -0.8 indicates that 4-Hydroxy-2-methylpyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-methylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-2-methylpyrimidine-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 4-Hydroxy-2-methylpyrimidine-5-carbonitrile?
The CAS number of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile is 272-23-1.
What is the molecular formula of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile?
The molecular formula of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile is C6H5N3O.
What is the molecular weight of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile?
The molecular weight of 4-Hydroxy-2-methylpyrimidine-5-carbonitrile is 135.04 g/mol.
Where can I buy 4-Hydroxy-2-methylpyrimidine-5-carbonitrile?
You can request a quote for 4-Hydroxy-2-methylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-methylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-methylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.