1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
TL;DR: 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione (CAS 120991-13-1) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidine-2,4-dione
Also Known As: Thymallene, 1-(4-Hydroxy-1,2-butadienyl)thymine, N1-(4-Hydroxy-1,2-butadien-1-yl)thymine, 1-(4-hydroxybuta-1,2-dienyl)-5-methylpyrimidine-2,4-dione, 1-(4-hydroxybuta-1,2-dienyl)-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.06914 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 Da |
| Heavy Atoms | 14 |
| Complexity | 351.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C=C=CCO |
| InChIKey | YBCVWATXZPOZBN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
Property Insights of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
The XLogP value of -1.3 indicates that 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione is 120991-13-1.
What is the molecular formula of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione is C9H10N2O3.
What is the molecular weight of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione is 194.06914 g/mol.
Where can I buy 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 1-(4-Hydroxybuta-1,2-dien-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.