2-(3-chlorophenylamino)pyrimidin-4(3H)-one
TL;DR: 2-(3-chlorophenylamino)pyrimidin-4(3H)-one (CAS 158661-60-0) is a chemical compound with molecular formula C10H8ClN3O and molecular weight 221.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloroanilino)-1H-pyrimidin-6-one
Also Known As: 2-(3-chlorophenylamino)pyrimidin-4(3H)-one, 2-(3-chloroanilino)-1H-pyrimidin-6-one, 2-(3-Chloro-phenylamino)-pyrimidine-4-ol, 2-[(3-chlorophenyl)amino]pyrimidin-4(3H)-one, 2-[(3-chlorophenyl)amino]-3-hydropyrimidin-4-one
Technical Specifications
| Molecular Formula | C10H8ClN3O |
| Molecular Weight | 221.03558 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.03558 Da |
| Heavy Atoms | 15 |
| Complexity | 314.0 |
| SMILES | C1=CC(=CC(=C1)Cl)NC2=NC=CC(=O)N2 |
| InChIKey | YBOHNQNCXZWDSL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one
Property Insights of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-chlorophenylamino)pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 53.5 Ų, 2-(3-chlorophenylamino)pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-chlorophenylamino)pyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 2 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-chlorophenylamino)pyrimidin-4(3H)-one?
The CAS number of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one is 158661-60-0.
What is the molecular formula of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one?
The molecular formula of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one is C10H8ClN3O.
What is the molecular weight of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one?
The molecular weight of 2-(3-chlorophenylamino)pyrimidin-4(3H)-one is 221.03558 g/mol.
Where can I buy 2-(3-chlorophenylamino)pyrimidin-4(3H)-one?
You can request a quote for 2-(3-chlorophenylamino)pyrimidin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-chlorophenylamino)pyrimidin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 2-(3-chlorophenylamino)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.