4-(2-Tolylamino)cytosine
TL;DR: 4-(2-Tolylamino)cytosine (CAS 127970-29-0) is a chemical compound with molecular formula C11H11N3O and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methylanilino)-1H-pyrimidin-2-one
Also Known As: 4-(2-Tolylamino)cytosine, 4-o-toluidino-1H-pyrimidin-2-one, 4-(2-Toluidino)-2(1H)-pyrimidinone #, 6-(2-methylanilino)-1H-pyrimidin-2-one, 4-(2-Methylphenylamino)-pyrimidin-2(1H)-one
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 127970-29-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC=NC(=O)N2 |
| InChIKey | HJSSEDQVZCLZQF-UHFFFAOYSA-N |
Product Overview
4-(2-Tolylamino)cytosine (CAS 127970-29-0), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 6-(2-methylanilino)-1H-pyrimidin-2-one.
Chemical Property Profile of 4-(2-Tolylamino)cytosine
Property Insights of 4-(2-Tolylamino)cytosine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Tolylamino)cytosine. With a topological polar surface area (TPSA) of 53.5 Ų, 4-(2-Tolylamino)cytosine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Tolylamino)cytosine 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
Frequently Asked Questions
What is the CAS number of 4-(2-Tolylamino)cytosine?
The CAS number of 4-(2-Tolylamino)cytosine is 127970-29-0.
What is the molecular formula of 4-(2-Tolylamino)cytosine?
The molecular formula of 4-(2-Tolylamino)cytosine is C11H11N3O.
What is the molecular weight of 4-(2-Tolylamino)cytosine?
The molecular weight of 4-(2-Tolylamino)cytosine is 201.09 g/mol.
Where can I buy 4-(2-Tolylamino)cytosine?
You can request a quote for 4-(2-Tolylamino)cytosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Tolylamino)cytosine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Tolylamino)cytosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.