![2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile structure](/static/products/865/865758-96-9.webp)
2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile
TL;DR: 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile (CAS 865758-96-9) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
Also Known As: 2-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile, 2-[(3,6-dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile, 2-[(6-CHLORO-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)METHYL]BENZONITRILE, 2-{[3,6-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]METHYL}BENZONITRILE
Technical Specifications
| Molecular Formula | C14H13N3O2 |
| Molecular Weight | 255.10077 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.10077 Da |
| Heavy Atoms | 19 |
| Complexity | 474.0 |
| SMILES | CC1=CC(=O)N(C(=O)N1CC2=CC=CC=C2C#N)C |
| InChIKey | OYGOCOVQYGJSNQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile
Property Insights of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile. Following Lipinski's Rule of Five, 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile has 0 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 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile?
The CAS number of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile is 865758-96-9.
What is the molecular formula of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile?
The molecular formula of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile is C14H13N3O2.
What is the molecular weight of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile?
The molecular weight of 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile is 255.10077 g/mol.
Where can I buy 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile?
You can request a quote for 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3,6-Dimethyl-2,4-dioxo-1,3-dihydropyrimidinyl)methyl]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.