ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate
TL;DR: ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate (CAS 682789-05-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate
Also Known As: ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate, Ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate, ETHYL 4-AMINO-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 1.7982 |
| Topological Polar Surface Area | 81.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 702.2952 |
Chemical Identifiers
| CAS Number | 682789-05-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)N2CCC3=CC=CC=C3C2 |
Product Overview
ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate (CAS 682789-05-5), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: ethyl 4-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate
Property Insights of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate
The XLogP value of 1.7982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate. The TPSA of 81.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-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-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate?
The CAS number of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate is 682789-05-5.
What is the molecular formula of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate?
The molecular formula of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate is C16H18N4O2.
What is the molecular weight of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate?
The molecular weight of ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate is 298.14 g/mol.
Where can I buy ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate?
You can request a quote for ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-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-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.