N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
TL;DR: N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine (CAS 674362-85-7) is a chemical compound with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3,4-dimethylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
Also Known As: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine, N'-(3,4-Dimethyl-phenyl)-5-nitro-N-(tetrahydro-furan-2-ylmethyl)-pyrimidine-2,4,6-triamine, N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine, [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-(tetrahydrofurfuryl)amine, {6-amino-5-nitro-2-[(oxolan-2-ylmethyl)amino]pyrimidin-4-yl}(3,4-dimethylpheny l)amine
| Molecular Formula | C17H22N6O3 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 2.91834 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.17532 |
| Heavy Atoms | 26 |
| Complexity | 820.3858 |
Chemical Identifiers
| CAS Number | 674362-85-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3)C |
Product Overview
N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine (CAS 674362-85-7), with molecular formula C17H22N6O3 and molecular weight 358.18 g/mol. IUPAC: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
Property Insights of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
The XLogP value of 2.91834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 8 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-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The CAS number of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine is 674362-85-7.
What is the molecular formula of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The molecular formula of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine is C17H22N6O3.
What is the molecular weight of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The molecular weight of N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine is 358.18 g/mol.
Where can I buy N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
You can request a quote for N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)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-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(3,4-dimethylphenyl)-5-nitro-N2-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.