4-Amino-1-benzylpyrimidin-2(1H)-one
TL;DR: 4-Amino-1-benzylpyrimidin-2(1H)-one (CAS 60722-54-5) 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.
4-amino-1-benzylpyrimidin-2-one
Also Known As: benzylcytosine, 4-amino-1-benzylpyrimidin-2-one, 4-Amino-1-benzylpyrimidin-2(1H)-one, 4-amino-1-benzyl-1H-pyrimidin-2-one, 4-amino-1-benzyl-2(1H)-pyrimidinone
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 60722-54-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=CC(=NC2=O)N |
| InChIKey | WHSOKGZCVSCOJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-1-benzylpyrimidin-2(1H)-one (CAS 60722-54-5), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 4-amino-1-benzylpyrimidin-2-one.
Chemical Property Profile of 4-Amino-1-benzylpyrimidin-2(1H)-one
Property Insights of 4-Amino-1-benzylpyrimidin-2(1H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-benzylpyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 58.7 Ų, 4-Amino-1-benzylpyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1-benzylpyrimidin-2(1H)-one has 1 hydrogen bond donor(s) and 1 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-Amino-1-benzylpyrimidin-2(1H)-one?
The CAS number of 4-Amino-1-benzylpyrimidin-2(1H)-one is 60722-54-5.
What is the molecular formula of 4-Amino-1-benzylpyrimidin-2(1H)-one?
The molecular formula of 4-Amino-1-benzylpyrimidin-2(1H)-one is C11H11N3O.
What is the molecular weight of 4-Amino-1-benzylpyrimidin-2(1H)-one?
The molecular weight of 4-Amino-1-benzylpyrimidin-2(1H)-one is 201.09 g/mol.
Where can I buy 4-Amino-1-benzylpyrimidin-2(1H)-one?
You can request a quote for 4-Amino-1-benzylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-benzylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-benzylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.