![4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile structure](/static/products/1025/1025640-65-6.webp)
4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile (CAS 1025640-65-6) is a chemical compound with molecular formula C12H14N4O and molecular weight 230.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(PYRIMIDIN-2-YLAMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile
Technical Specifications
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.11676 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.11676 Da |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=NC=CC=N1)C#N |
| InChIKey | GGINKVJHGLEZTE-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile 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 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile is 1025640-65-6.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile is C12H14N4O.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile is 230.11676 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[(pyrimidin-2-ylamino)methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.