N-butyl-6-chloro-5-nitropyrimidin-4-amine
TL;DR: N-butyl-6-chloro-5-nitropyrimidin-4-amine (CAS 492464-18-3) is a chemical compound with molecular formula C8H11ClN4O2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6-chloro-5-nitropyrimidin-4-amine
Also Known As: N-butyl-6-chloro-5-nitropyrimidin-4-amine, IFLAB-BBF2124-0129, IFLAB-BB F2124-0129, 4-pyrimidinamine,n-butyl-6-chloro-5-nitro-
| Molecular Formula | C8H11ClN4O2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.2502 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.05705 |
| Heavy Atoms | 15 |
| Complexity | 358.49493 |
Chemical Identifiers
| CAS Number | 492464-18-3 |
|---|---|
| SMILES | CCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-] |
Product Overview
N-butyl-6-chloro-5-nitropyrimidin-4-amine (CAS 492464-18-3), with molecular formula C8H11ClN4O2 and molecular weight 230.06 g/mol. IUPAC: N-butyl-6-chloro-5-nitropyrimidin-4-amine.
Chemical Property Profile of N-butyl-6-chloro-5-nitropyrimidin-4-amine
Property Insights of N-butyl-6-chloro-5-nitropyrimidin-4-amine
The XLogP value of 2.2502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-6-chloro-5-nitropyrimidin-4-amine. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-6-chloro-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, N-butyl-6-chloro-5-nitropyrimidin-4-amine has 1 hydrogen bond donor(s) and 5 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-butyl-6-chloro-5-nitropyrimidin-4-amine?
The CAS number of N-butyl-6-chloro-5-nitropyrimidin-4-amine is 492464-18-3.
What is the molecular formula of N-butyl-6-chloro-5-nitropyrimidin-4-amine?
The molecular formula of N-butyl-6-chloro-5-nitropyrimidin-4-amine is C8H11ClN4O2.
What is the molecular weight of N-butyl-6-chloro-5-nitropyrimidin-4-amine?
The molecular weight of N-butyl-6-chloro-5-nitropyrimidin-4-amine is 230.06 g/mol.
Where can I buy N-butyl-6-chloro-5-nitropyrimidin-4-amine?
You can request a quote for N-butyl-6-chloro-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-6-chloro-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-6-chloro-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.