N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 674294-25-8) is a chemical compound with molecular formula C16H22N6O2 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-butan-2-yl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: 2-N-butan-2-yl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine, N2-(sec-butyl)-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine, N2-butan-2-yl-N4-(3,4-dimethylphenyl)-5-nitro-pyrimidine-2,4,6-triamine, N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C16H22N6O2 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 3.53784 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.18042 |
| Heavy Atoms | 24 |
| Complexity | 762.47314 |
Chemical Identifiers
| CAS Number | 674294-25-8 |
|---|---|
| SMILES | CCC(C)NC1=NC(=C(C(=N1)NC2=CC(=C(C=C2)C)C)[N+](=O)[O-])N |
Product Overview
N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 674294-25-8), with molecular formula C16H22N6O2 and molecular weight 330.18 g/mol. IUPAC: 2-N-butan-2-yl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 3.53784 indicates that N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-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 N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is 674294-25-8.
What is the molecular formula of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is C16H22N6O2.
What is the molecular weight of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine is 330.18 g/mol.
Where can I buy N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-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 N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(butan-2-yl)-N~4~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.