N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
TL;DR: N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 96731-03-2) is a chemical compound with molecular formula C12H14N6O and molecular weight 258.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3,4-dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamine
Also Known As: N4-(3,4,6-PYRIMIDINETRIAMINE, N4-(3,4-dimethyl-phenyl)-5-nitroso-pyrimidine-2,4,6-triamine, 2,4,6-Pyrimidinetriamine, N4-(3,4-dimethylphenyl)-5-nitroso-, 4-N-(3,4-dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamine, N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
| Molecular Formula | C12H14N6O |
|---|---|
| Molecular Weight | 258.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.1229 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 96731-03-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2N=O)N)N)C |
| InChIKey | PETXMOGANRTKCW-UHFFFAOYSA-N |
Product Overview
N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 96731-03-2), with molecular formula C12H14N6O and molecular weight 258.12 g/mol. IUPAC: 4-N-(3,4-dimethylphenyl)-5-nitrosopyrimidine-2,4,6-triamine.
Chemical Property Profile of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
Property Insights of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 7 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 N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The CAS number of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 96731-03-2.
What is the molecular formula of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular formula of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is C12H14N6O.
What is the molecular weight of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular weight of N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 258.12 g/mol.
Where can I buy N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
You can request a quote for N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N6-(3,4-dimethylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.