6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
TL;DR: 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine (CAS 127116-64-7) is a chemical compound with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-6-phenylmethoxypyrimidine-2,4-diamine
Also Known As: 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine, 6-(BENZYLOXY)-5-NITROPYRIMIDINE-2,4-DIAMINE, 2,4-Pyrimidinediamine, 5-nitro-6-(phenylmethoxy)-, 5-nitro-6-phenylmethoxypyrimidine-2,4-diamine, 2,4-Diamino-6-benzyloxy-5-nitropyrimidine
| Molecular Formula | C11H11N5O3 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 1.1282 |
| Topological Polar Surface Area | 130.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.08618 |
| Heavy Atoms | 19 |
| Complexity | 602.7797 |
Chemical Identifiers
| CAS Number | 127116-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NC(=NC(=C2[N+](=O)[O-])N)N |
Product Overview
6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine (CAS 127116-64-7), with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol. IUPAC: 5-nitro-6-phenylmethoxypyrimidine-2,4-diamine.
Chemical Property Profile of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
Property Insights of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
The XLogP value of 1.1282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine. The TPSA of 130.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-Benzyloxy-5-nitro-pyrimidine-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 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine?
The CAS number of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine is 127116-64-7.
What is the molecular formula of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine?
The molecular formula of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine is C11H11N5O3.
What is the molecular weight of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine?
The molecular weight of 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine is 261.09 g/mol.
Where can I buy 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine?
You can request a quote for 6-Benzyloxy-5-nitro-pyrimidine-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 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.