N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine
TL;DR: N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine (CAS 31703-36-3) is a chemical compound with molecular formula C12H11ClN4O2 and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine
Also Known As: N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine, Benzyl-(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)-amine
| Molecular Formula | C12H11ClN4O2 |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 2.95872 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.05707 |
| Heavy Atoms | 19 |
| Complexity | 604.1784 |
Chemical Identifiers
| CAS Number | 31703-36-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)Cl)NCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine (CAS 31703-36-3), with molecular formula C12H11ClN4O2 and molecular weight 278.06 g/mol. IUPAC: N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine.
Chemical Property Profile of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine
Property Insights of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine
The XLogP value of 2.95872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, N-benzyl-2-chloro-6-methyl-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-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine?
The CAS number of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine is 31703-36-3.
What is the molecular formula of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine?
The molecular formula of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine is C12H11ClN4O2.
What is the molecular weight of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine?
The molecular weight of N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine is 278.06 g/mol.
Where can I buy N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine?
You can request a quote for N-benzyl-2-chloro-6-methyl-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-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-chloro-6-methyl-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.