2(1H)-Pyrimidinone
TL;DR: 2(1H)-Pyrimidinone (CAS 557-01-7) is a chemical compound with molecular formula C4H4N2O and molecular weight 96.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-pyrimidin-2-one
Also Known As: 2-Hydroxypyrimidine, pyrimidin-2-ol, 2-Pyrimidinol, 1H-Pyrimidin-2-one, 2-Oxopyrimidine
| Molecular Formula | C4H4N2O |
|---|---|
| Molecular Weight | 96.03 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.032364 |
| Heavy Atoms | 7 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 557-01-7 |
|---|---|
| SMILES | C1=CNC(=O)N=C1 |
| InChIKey | VTGOHKSTWXHQJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(1H)-Pyrimidinone (CAS 557-01-7), with molecular formula C4H4N2O and molecular weight 96.03 g/mol. IUPAC: 1H-pyrimidin-2-one.
Chemical Property Profile of 2(1H)-Pyrimidinone
Property Insights of 2(1H)-Pyrimidinone
The XLogP value of -1.8 indicates that 2(1H)-Pyrimidinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.5 Ų, 2(1H)-Pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone 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 2(1H)-Pyrimidinone?
The CAS number of 2(1H)-Pyrimidinone is 557-01-7.
What is the molecular formula of 2(1H)-Pyrimidinone?
The molecular formula of 2(1H)-Pyrimidinone is C4H4N2O.
What is the molecular weight of 2(1H)-Pyrimidinone?
The molecular weight of 2(1H)-Pyrimidinone is 96.03 g/mol.
Where can I buy 2(1H)-Pyrimidinone?
You can request a quote for 2(1H)-Pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.