Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
TL;DR: Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate (CAS 90971-96-3) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
Also Known As: NCIOpen2_003191, ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate, 4-amino-2-aziridin-1-yl-pyrimidine-5-carboxylic acid ethyl ester
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 90971-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)N2CC2 |
| InChIKey | BZKUGLSJFCIFTM-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate (CAS 90971-96-3), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
Property Insights of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 6 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-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate?
The CAS number of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate is 90971-96-3.
What is the molecular formula of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate?
The molecular formula of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate is C9H12N4O2.
What is the molecular weight of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate?
The molecular weight of Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate is 208.10 g/mol.
Where can I buy Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate?
You can request a quote for Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.