1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 57397-01-0) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-(oxiran-2-ylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylethyl)-5-(oxiranylmethyl)-, 1,3-dimethyl-5-(oxiran-2-ylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-[(oxiran-2-yl)methyl]-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione, 5-Isopropyl-1,3-dimethyl-5-(2-oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 57397-01-0 |
|---|---|
| SMILES | CC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC2CO2 |
| InChIKey | ZAIXELGSPQQLHS-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 57397-01-0), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: 1,3-dimethyl-5-(oxiran-2-ylmethyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 0 hydrogen bond donor(s) and 4 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 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 57397-01-0.
What is the molecular formula of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C12H18N2O4.
What is the molecular weight of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 254.13 g/mol.
Where can I buy 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-isopropyl-5-(oxiranylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.