2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine
TL;DR: 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine (CAS 154496-71-6) is a chemical compound with molecular formula C12H16N4OS and molecular weight 264.1045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrazol-3-one
Also Known As: 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine, 3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-, 1,2-Dihydro-5-methyl-2-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-3H-pyrazol-3-one, 2-(2-(Isopropylthio)-6-methylpyrimidin-4-yl)-5-methyl-1H-pyrazol-3(2H)-one, 5-methyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C12H16N4OS |
| Molecular Weight | 264.1045 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.1045 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CC1=CC(=O)N(N1)C2=NC(=NC(=C2)C)SC(C)C |
| InChIKey | OBCUVCCTUXHEBM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine
Property Insights of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine. Following Lipinski's Rule of Five, 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine?
The CAS number of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine is 154496-71-6.
What is the molecular formula of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine?
The molecular formula of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine is C12H16N4OS.
What is the molecular weight of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine?
The molecular weight of 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine is 264.1045 g/mol.
Where can I buy 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine?
You can request a quote for 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine?
Yes, CoreyChem provides custom synthesis services for 2-Isopropylthio-6-methyl-4-(1-3-methylpyrazolon-5(2H)-yl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.