N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
TL;DR: N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 31598-92-2) is a chemical compound with molecular formula C11H12N6O and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(2-methylphenyl)-5-nitrosopyrimidine-2,4,6-triamine
Also Known As: n4-(2-methylphenyl)-5-nitrosopyrimidine-2,4,6-triamine, 4-N-(2-methylphenyl)-5-nitrosopyrimidine-2,4,6-triamine, 2,4,6-Pyrimidinetriamine, N4-(2-methylphenyl)-5-nitroso-, N4-(2-METHYLPHENYL)-5-NITROSO-PYRIMIDINE-2,4,6-TRIAMINE, 2-Imino-6-[(2-methylphenyl)imino]-5-nitroso-1,2,3,6-tetrahydropyrimidin-4-amine
| Molecular Formula | C11H12N6O |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.10725 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 31598-92-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)N |
| InChIKey | GXIVNJDUFRMPPZ-UHFFFAOYSA-N |
Product Overview
N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine (CAS 31598-92-2), with molecular formula C11H12N6O and molecular weight 244.11 g/mol. IUPAC: 4-N-(2-methylphenyl)-5-nitrosopyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
Property Insights of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-(2-Methylphenyl)-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 N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The CAS number of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 31598-92-2.
What is the molecular formula of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular formula of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is C11H12N6O.
What is the molecular weight of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
The molecular weight of N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine is 244.11 g/mol.
Where can I buy N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
You can request a quote for N4-(2-Methylphenyl)-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 N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(2-Methylphenyl)-5-nitroso-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.