4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine
TL;DR: 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine (CAS 116979-35-2) is a chemical compound with molecular formula C19H21N5 and molecular weight 319.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]pyrimidin-2-amine
Also Known As: 6-Methyl-8-beta-(2-amino-pyrimidin-4-yl)ergoline, 3-AMINOPYRIDINE-5-BORONIC ACID, (8-beta)-4-(6-Methyl-8-ergolinyl)-2-pyrimidinamine, 2-Pyrimidinamine, 4-(6-methyl-8-ergolinyl)-, (8-beta)-, 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine
Technical Specifications
| Molecular Formula | C19H21N5 |
| Molecular Weight | 319.1797 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.1797 Da |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=NC(=NC=C5)N |
| InChIKey | CSPLHNLVWWQLIF-ZYFOBHMOSA-N |
Chemical Property Profile of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine
Property Insights of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine. Following Lipinski's Rule of Five, 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine 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
What is the CAS number of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine?
The CAS number of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine is 116979-35-2.
What is the molecular formula of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine?
The molecular formula of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine is C19H21N5.
What is the molecular weight of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine?
The molecular weight of 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine is 319.1797 g/mol.
Where can I buy 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine?
You can request a quote for 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine?
Yes, CoreyChem provides custom synthesis services for 4-(6-Methylergolin-8-yl)pyrimidin-2(1H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.