N~4~-Methyl-5-nitropyrimidine-4,6-diamine
TL;DR: N~4~-Methyl-5-nitropyrimidine-4,6-diamine (CAS 4094-00-2) is a chemical compound with molecular formula C5H7N5O2 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-methyl-5-nitropyrimidine-4,6-diamine
Also Known As: N4-methyl-5-nitropyrimidine-4,6-diamine, 4-N-methyl-5-nitropyrimidine-4,6-diamine, N-methyl-5-nitro-pyrimidine-4,6-diamine, N~4~-Methyl-5-nitropyrimidine-4,6-diamine, 4-amino-5-nitro-6-(methylamino)pyrimidine
| Molecular Formula | C5H7N5O2 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.05997 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 4094-00-2 |
|---|---|
| SMILES | CNC1=NC=NC(=C1[N+](=O)[O-])N |
| InChIKey | GEMCWVNKCZNIML-UHFFFAOYSA-N |
Product Overview
N~4~-Methyl-5-nitropyrimidine-4,6-diamine (CAS 4094-00-2), with molecular formula C5H7N5O2 and molecular weight 169.06 g/mol. IUPAC: 4-N-methyl-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N~4~-Methyl-5-nitropyrimidine-4,6-diamine
Property Insights of N~4~-Methyl-5-nitropyrimidine-4,6-diamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~4~-Methyl-5-nitropyrimidine-4,6-diamine. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-Methyl-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N~4~-Methyl-5-nitropyrimidine-4,6-diamine 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 N~4~-Methyl-5-nitropyrimidine-4,6-diamine?
The CAS number of N~4~-Methyl-5-nitropyrimidine-4,6-diamine is 4094-00-2.
What is the molecular formula of N~4~-Methyl-5-nitropyrimidine-4,6-diamine?
The molecular formula of N~4~-Methyl-5-nitropyrimidine-4,6-diamine is C5H7N5O2.
What is the molecular weight of N~4~-Methyl-5-nitropyrimidine-4,6-diamine?
The molecular weight of N~4~-Methyl-5-nitropyrimidine-4,6-diamine is 169.06 g/mol.
Where can I buy N~4~-Methyl-5-nitropyrimidine-4,6-diamine?
You can request a quote for N~4~-Methyl-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~4~-Methyl-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-Methyl-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.