N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
TL;DR: N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 1008389-79-4) is a chemical compound with molecular formula C15H26N6O2 and molecular weight 322.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-butan-2-yl-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Also Known As: 2-N-butan-2-yl-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine, N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine, N2-(sec-butyl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
| Molecular Formula | C15H26N6O2 |
|---|---|
| Molecular Weight | 322.21 g/mol |
| LogP | 2.6597 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.21173 |
| Heavy Atoms | 23 |
| Complexity | 569.3307 |
Chemical Identifiers
| CAS Number | 1008389-79-4 |
|---|---|
| SMILES | CCC(C)NC1=NC(=C(C(=N1)N2CC(CC(C2)C)C)[N+](=O)[O-])N |
Product Overview
N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine (CAS 1008389-79-4), with molecular formula C15H26N6O2 and molecular weight 322.21 g/mol. IUPAC: 2-N-butan-2-yl-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
Property Insights of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine
The XLogP value of 2.6597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine has 2 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)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The CAS number of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is 1008389-79-4.
What is the molecular formula of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular formula of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is C15H26N6O2.
What is the molecular weight of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
The molecular weight of N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine is 322.21 g/mol.
Where can I buy N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
You can request a quote for N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine 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)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(butan-2-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.