N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
TL;DR: N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine (CAS 585563-56-0) is a chemical compound with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Also Known As: N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine, F2678-0738, [6-amino-2-(3-methylpiperidyl)-5-nitropyrimidin-4-yl]benzylamine, 4-N-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine, 6-benzylamino-2-(3-methyl-1-piperidyl)-5-nitro-4-pyrimidinamine
| Molecular Formula | C17H22N6O2 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 2.8154 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.18042 |
| Heavy Atoms | 25 |
| Complexity | 752.30334 |
Chemical Identifiers
| CAS Number | 585563-56-0 |
|---|---|
| SMILES | CC1CCCN(C1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N |
Product Overview
N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine (CAS 585563-56-0), with molecular formula C17H22N6O2 and molecular weight 342.18 g/mol. IUPAC: 4-N-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
Property Insights of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 2.8154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-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 N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine is 585563-56-0.
What is the molecular formula of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine is C17H22N6O2.
What is the molecular weight of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine is 342.18 g/mol.
Where can I buy N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-benzyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.