2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one
TL;DR: 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one (CAS 878-87-5) is a chemical compound with molecular formula C5H7N5O3 and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-3-methyl-5-nitropyrimidin-4-one
Also Known As: 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one, 2,6-diamino-3-methyl-5-nitropyrimidin-4-one, 2,6-Diamino-3-methyl-5-nitropyrimidin-4(3H)-one, AB-323/25048329, 2,6-diamino-3-methyl-5-nitro-3H-pyrimidin-4-one
| Molecular Formula | C5H7N5O3 |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | -1.1471 |
| Topological Polar Surface Area | 130.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05489 |
| Heavy Atoms | 13 |
| Complexity | 422.91342 |
Chemical Identifiers
| CAS Number | 878-87-5 |
|---|---|
| SMILES | CN1C(=O)C(=C(N=C1N)N)[N+](=O)[O-] |
Product Overview
2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one (CAS 878-87-5), with molecular formula C5H7N5O3 and molecular weight 185.05 g/mol. IUPAC: 2,6-diamino-3-methyl-5-nitropyrimidin-4-one.
Chemical Property Profile of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one
Property Insights of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one
The XLogP value of -1.1471 indicates that 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 6 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 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The CAS number of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one is 878-87-5.
What is the molecular formula of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The molecular formula of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one is C5H7N5O3.
What is the molecular weight of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
The molecular weight of 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one is 185.05 g/mol.
Where can I buy 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
You can request a quote for 2,6-diamino-5-(nitro)-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 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-5-(nitro)-3-methylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.