Methyl 2-amino-6-chloropyrimidine-4-carboxylate
TL;DR: Methyl 2-amino-6-chloropyrimidine-4-carboxylate (CAS 6960-48-1) is a chemical compound with molecular formula C6H6ClN3O2 and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-6-chloropyrimidine-4-carboxylate
Also Known As: methyl 2-amino-6-chloropyrimidine-4-carboxylate, Methyl 2-amino-6-chloro-4-pyrimidinecarboxylate, methyl2-amino-6-chloropyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid, 2-amino-6-chloro-, methyl ester, methyl 2-amino-6-chloro-pyrimidine-4-carboxylate
| Molecular Formula | C6H6ClN3O2 |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.01485 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 6960-48-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC(=N1)N)Cl |
| InChIKey | FLKRTPIQMUGYRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-amino-6-chloropyrimidine-4-carboxylate (CAS 6960-48-1), with molecular formula C6H6ClN3O2 and molecular weight 187.01 g/mol. IUPAC: methyl 2-amino-6-chloropyrimidine-4-carboxylate.
Chemical Property Profile of Methyl 2-amino-6-chloropyrimidine-4-carboxylate
Property Insights of Methyl 2-amino-6-chloropyrimidine-4-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-6-chloropyrimidine-4-carboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-6-chloropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-amino-6-chloropyrimidine-4-carboxylate 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 Methyl 2-amino-6-chloropyrimidine-4-carboxylate?
The CAS number of Methyl 2-amino-6-chloropyrimidine-4-carboxylate is 6960-48-1.
What is the molecular formula of Methyl 2-amino-6-chloropyrimidine-4-carboxylate?
The molecular formula of Methyl 2-amino-6-chloropyrimidine-4-carboxylate is C6H6ClN3O2.
What is the molecular weight of Methyl 2-amino-6-chloropyrimidine-4-carboxylate?
The molecular weight of Methyl 2-amino-6-chloropyrimidine-4-carboxylate is 187.01 g/mol.
Where can I buy Methyl 2-amino-6-chloropyrimidine-4-carboxylate?
You can request a quote for Methyl 2-amino-6-chloropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-6-chloropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-6-chloropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.