2-(4-bromoanilino)-4(3H)-pyrimidinone
TL;DR: 2-(4-bromoanilino)-4(3H)-pyrimidinone (CAS 1201791-26-5) is a chemical compound with molecular formula C10H8BrN3O and molecular weight 264.98508 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromoanilino)-1H-pyrimidin-6-one
Also Known As: 2-(4-bromoanilino)-1H-pyrimidin-6-one, 2-(4-bromoanilino)-4(3H)-pyrimidinone, 2-(4-Bromoanilino)pyrimidine-4-ol, 2-[(4-bromophenyl)amino]-3,4-dihydropyrimidin-4-one, 2-[(4-bromophenyl)amino]pyrimidin-4-ol
Technical Specifications
| Molecular Formula | C10H8BrN3O |
| Molecular Weight | 264.98508 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.98508 Da |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
| SMILES | C1=CC(=CC=C1NC2=NC=CC(=O)N2)Br |
| InChIKey | IBQFCSVUQAXYCI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-bromoanilino)-4(3H)-pyrimidinone
Property Insights of 2-(4-bromoanilino)-4(3H)-pyrimidinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromoanilino)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 53.5 Ų, 2-(4-bromoanilino)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromoanilino)-4(3H)-pyrimidinone 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-(4-bromoanilino)-4(3H)-pyrimidinone?
The CAS number of 2-(4-bromoanilino)-4(3H)-pyrimidinone is 1201791-26-5.
What is the molecular formula of 2-(4-bromoanilino)-4(3H)-pyrimidinone?
The molecular formula of 2-(4-bromoanilino)-4(3H)-pyrimidinone is C10H8BrN3O.
What is the molecular weight of 2-(4-bromoanilino)-4(3H)-pyrimidinone?
The molecular weight of 2-(4-bromoanilino)-4(3H)-pyrimidinone is 264.98508 g/mol.
Where can I buy 2-(4-bromoanilino)-4(3H)-pyrimidinone?
You can request a quote for 2-(4-bromoanilino)-4(3H)-pyrimidinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-bromoanilino)-4(3H)-pyrimidinone?
Yes, CoreyChem provides custom synthesis services for 2-(4-bromoanilino)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.