5-Methylisocytosine
TL;DR: 5-Methylisocytosine (CAS 15981-91-6) is a chemical compound with molecular formula C5H7N3O and molecular weight 125.058914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-methyl-1H-pyrimidin-6-one
Also Known As: 5-Methylisocytosine, 2-amino-5-methylpyrimidin-4(3h)-one, 2-Amino-5-methylpyrimidin-4-ol, 2-Amino-5-methyl-4-pyrimidinol, 2-amino-5-methyl-1H-pyrimidin-6-one
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.058914 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.058914 Da |
| Heavy Atoms | 9 |
| Complexity | 204.0 |
| SMILES | CC1=CN=C(NC1=O)N |
| InChIKey | YKUFMYSNUQLIQS-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methylisocytosine
Property Insights of 5-Methylisocytosine
The XLogP value of -0.9 indicates that 5-Methylisocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methylisocytosine. Following Lipinski's Rule of Five, 5-Methylisocytosine 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
What is the CAS number of 5-Methylisocytosine?
The CAS number of 5-Methylisocytosine is 15981-91-6.
What is the molecular formula of 5-Methylisocytosine?
The molecular formula of 5-Methylisocytosine is C5H7N3O.
What is the molecular weight of 5-Methylisocytosine?
The molecular weight of 5-Methylisocytosine is 125.058914 g/mol.
Where can I buy 5-Methylisocytosine?
You can request a quote for 5-Methylisocytosine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methylisocytosine?
Yes, CoreyChem provides custom synthesis services for 5-Methylisocytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.