Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate (CAS 95983-12-3) is a chemical compound with molecular formula C12H19N3O3 and molecular weight 253.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2-dimethylpropylamino)-6-oxo-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate, ethyl 4-hydroxy-2-(neopentylamino)-5-pyrimidinecarboxylate, Ethyl 4-hydroxy-2-(neopentylamino)pyrimidine-5-carboxylate, ethyl 2-(2,2-dimethylpropylamino)-6-oxo-1H-pyrimidine-5-carboxylate, ethyl 2-[(2,2-dimethylpropyl)amino]-4-hydroxypyrimidine-5-carboxylate
| Molecular Formula | C12H19N3O3 |
|---|---|
| Molecular Weight | 253.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.14264 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 95983-12-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(NC1=O)NCC(C)(C)C |
| InChIKey | XYDFRBRJROYSKB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate (CAS 95983-12-3), with molecular formula C12H19N3O3 and molecular weight 253.14 g/mol. IUPAC: ethyl 2-(2,2-dimethylpropylamino)-6-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate has 2 hydrogen bond donor(s) and 4 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 Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate is 95983-12-3.
What is the molecular formula of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate is C12H19N3O3.
What is the molecular weight of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate is 253.14 g/mol.
Where can I buy Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-2-neopentylamino-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.