N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
TL;DR: N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 836638-61-0) is a chemical compound with molecular formula C15H20N6O3 and molecular weight 332.16 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-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: 2-N-butan-2-yl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, N2-(sec-butyl)-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine, N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C15H20N6O3 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.9296 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1597 |
| Heavy Atoms | 24 |
| Complexity | 719.8945 |
Chemical Identifiers
| CAS Number | 836638-61-0 |
|---|---|
| SMILES | CCC(C)NC1=NC(=C(C(=N1)NC2=CC=C(C=C2)OC)[N+](=O)[O-])N |
Product Overview
N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine (CAS 836638-61-0), with molecular formula C15H20N6O3 and molecular weight 332.16 g/mol. IUPAC: 2-N-butan-2-yl-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
Property Insights of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 2.9296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-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 N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 836638-61-0.
What is the molecular formula of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is C15H20N6O3.
What is the molecular weight of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine is 332.16 g/mol.
Where can I buy N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-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~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(butan-2-yl)-N~4~-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.