N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-25-2) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Also Known As: N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine, AB00668252-01, N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine, 4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine, F0543-0107
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 2.32744 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 642.012 |
Chemical Identifiers
| CAS Number | 450345-25-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N)C |
Product Overview
N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine (CAS 450345-25-2), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: 4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 2.32744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-(2,3-dimethylphenyl)-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 N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is 450345-25-2.
What is the molecular formula of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is C12H13N5O2.
What is the molecular weight of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine is 259.11 g/mol.
Where can I buy N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-(2,3-dimethylphenyl)-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 N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.