4-Pyrimidinamine, 6-chloro-5-nitro-
TL;DR: 4-Pyrimidinamine, 6-chloro-5-nitro- (CAS 4316-94-3) is a chemical compound with molecular formula C4H3ClN4O2 and molecular weight 173.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-nitropyrimidin-4-amine
Also Known As: 6-chloro-5-nitropyrimidin-4-amine, 4-Pyrimidinamine, 6-chloro-5-nitro-, 4-Amino-6-chloro-5-nitropyrimidine, 4-Amino-5-nitro-6-chloropyrimidine, SODIUMN-OCTADECYLSULFATE
| Molecular Formula | C4H3ClN4O2 |
|---|---|
| Molecular Weight | 173.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.99445 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 4316-94-3 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])N |
| InChIKey | BWLOHIMQWHFSQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyrimidinamine, 6-chloro-5-nitro- (CAS 4316-94-3), with molecular formula C4H3ClN4O2 and molecular weight 173.99 g/mol. IUPAC: 6-chloro-5-nitropyrimidin-4-amine.
Chemical Property Profile of 4-Pyrimidinamine, 6-chloro-5-nitro-
Property Insights of 4-Pyrimidinamine, 6-chloro-5-nitro-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinamine, 6-chloro-5-nitro-. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinamine, 6-chloro-5-nitro-. Following Lipinski's Rule of Five, 4-Pyrimidinamine, 6-chloro-5-nitro- 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 4-Pyrimidinamine, 6-chloro-5-nitro-?
The CAS number of 4-Pyrimidinamine, 6-chloro-5-nitro- is 4316-94-3.
What is the molecular formula of 4-Pyrimidinamine, 6-chloro-5-nitro-?
The molecular formula of 4-Pyrimidinamine, 6-chloro-5-nitro- is C4H3ClN4O2.
What is the molecular weight of 4-Pyrimidinamine, 6-chloro-5-nitro-?
The molecular weight of 4-Pyrimidinamine, 6-chloro-5-nitro- is 173.99 g/mol.
Where can I buy 4-Pyrimidinamine, 6-chloro-5-nitro-?
You can request a quote for 4-Pyrimidinamine, 6-chloro-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinamine, 6-chloro-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinamine, 6-chloro-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.