Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
TL;DR: Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate (CAS 19872-31-2) is a chemical compound with molecular formula C6H7N5O4 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
Also Known As: methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate, 4-Pyrimidinecarboxylicacid, 2,6-diamino-5-nitro-, methyl ester
| Molecular Formula | C6H7N5O4 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0498 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 19872-31-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=NC(=N1)N)N)[N+](=O)[O-] |
| InChIKey | GEGZZLDMKGCMSS-UHFFFAOYSA-N |
Product Overview
Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate (CAS 19872-31-2), with molecular formula C6H7N5O4 and molecular weight 213.05 g/mol. IUPAC: methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate.
Chemical Property Profile of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
Property Insights of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate. The TPSA of 150.0 Ų indicates high polarity, suggesting Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 8 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 2,6-diamino-5-nitropyrimidine-4-carboxylate?
The CAS number of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate is 19872-31-2.
What is the molecular formula of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate?
The molecular formula of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate is C6H7N5O4.
What is the molecular weight of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate?
The molecular weight of Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate is 213.05 g/mol.
Where can I buy Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate?
You can request a quote for Methyl 2,6-diamino-5-nitropyrimidine-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 2,6-diamino-5-nitropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-diamino-5-nitropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.