2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
TL;DR: 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one (CAS 45864-29-7) is a chemical compound with molecular formula C5H9N5O and molecular weight 155.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6-triamino-3-methylpyrimidin-4-one
Also Known As: Neriifolin, 2,5,6-triamino-3-methylpyrimidin-4(3H)-one, 2,5,6-triamino-3-methyl-3,4-dihydropyrimidin-4-one, 2,5,6-triamino-3-methylpyrimidin-4-one, 2,5,6-triamino-3-methyl-pyrimidin-4-one
| Molecular Formula | C5H9N5O |
|---|---|
| Molecular Weight | 155.08 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.0807 |
| Heavy Atoms | 11 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 45864-29-7 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1N)N)N |
| InChIKey | NGGRKPGEGTWGSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5,6-Triamino-3-methylpyrimidin-4(3H)-one (CAS 45864-29-7), with molecular formula C5H9N5O and molecular weight 155.08 g/mol. IUPAC: 2,5,6-triamino-3-methylpyrimidin-4-one.
Chemical Property Profile of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
Property Insights of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one
The XLogP value of -2.1 indicates that 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one 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 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one?
The CAS number of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one is 45864-29-7.
What is the molecular formula of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one?
The molecular formula of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one is C5H9N5O.
What is the molecular weight of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one?
The molecular weight of 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one is 155.08 g/mol.
Where can I buy 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one?
You can request a quote for 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5,6-Triamino-3-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.