1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 133181-42-7) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-(3,4-dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 2H-909, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4- tetrahydro-5-pyrimidinecarbonitrile
Technical Specifications
| Molecular Formula | C15H15N3O4 |
| Molecular Weight | 301.10626 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.10626 Da |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
| SMILES | COC1=C(C=C(C=C1)CCN2C=C(C(=O)NC2=O)C#N)OC |
| InChIKey | GGXPOPOJIYPYQT-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 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 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 133181-42-7.
What is the molecular formula of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C15H15N3O4.
What is the molecular weight of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 301.10626 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dimethoxyphenethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.