2-(4-methylanilino)-1H-pyrimidin-6-one
TL;DR: 2-(4-methylanilino)-1H-pyrimidin-6-one (CAS 158661-58-6) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylanilino)-1H-pyrimidin-6-one
Also Known As: 2-(P-tolylamino)pyrimidin-4-ol, 2-(4-methylanilino)-1H-pyrimidin-6-one, 2-(p-tolylamino)pyrimidin-4(3H)-one, 2-(4-Methylanilino)pyrimidine-4-ol, 2-(4-toluidino)-4(3H)-pyrimidinone
Technical Specifications
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.09021 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.09021 Da |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
| SMILES | CC1=CC=C(C=C1)NC2=NC=CC(=O)N2 |
| InChIKey | PBCQJLYNCKXHAX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-methylanilino)-1H-pyrimidin-6-one
Property Insights of 2-(4-methylanilino)-1H-pyrimidin-6-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-methylanilino)-1H-pyrimidin-6-one. With a topological polar surface area (TPSA) of 53.5 Ų, 2-(4-methylanilino)-1H-pyrimidin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-methylanilino)-1H-pyrimidin-6-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-(4-methylanilino)-1H-pyrimidin-6-one?
The CAS number of 2-(4-methylanilino)-1H-pyrimidin-6-one is 158661-58-6.
What is the molecular formula of 2-(4-methylanilino)-1H-pyrimidin-6-one?
The molecular formula of 2-(4-methylanilino)-1H-pyrimidin-6-one is C11H11N3O.
What is the molecular weight of 2-(4-methylanilino)-1H-pyrimidin-6-one?
The molecular weight of 2-(4-methylanilino)-1H-pyrimidin-6-one is 201.09021 g/mol.
Where can I buy 2-(4-methylanilino)-1H-pyrimidin-6-one?
You can request a quote for 2-(4-methylanilino)-1H-pyrimidin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-methylanilino)-1H-pyrimidin-6-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-methylanilino)-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.