2-(Benzylamino)-4(3H)-pyrimidinone
TL;DR: 2-(Benzylamino)-4(3H)-pyrimidinone (CAS 111971-07-4) 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.
2-(benzylamino)-1H-pyrimidin-6-one
Also Known As: 2-(benzylamino)-1H-pyrimidin-6-one, BAS 05162616, 2-Benzylamino-3H-pyrimidin-4-one, 2-(BENZYLAMINO)-4(3H)-PYRIMIDINONE, 2-[benzylamino]-3-hydropyrimidin-4-one
| Molecular Formula | C11H11N3O |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.09021 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 111971-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=CC(=O)N2 |
| InChIKey | AOMUBKDFAOWHFU-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-4(3H)-pyrimidinone (CAS 111971-07-4), with molecular formula C11H11N3O and molecular weight 201.09 g/mol. IUPAC: 2-(benzylamino)-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Benzylamino)-4(3H)-pyrimidinone
Property Insights of 2-(Benzylamino)-4(3H)-pyrimidinone
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylamino)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 53.5 Ų, 2-(Benzylamino)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)-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
Frequently Asked Questions
What is the CAS number of 2-(Benzylamino)-4(3H)-pyrimidinone?
The CAS number of 2-(Benzylamino)-4(3H)-pyrimidinone is 111971-07-4.
What is the molecular formula of 2-(Benzylamino)-4(3H)-pyrimidinone?
The molecular formula of 2-(Benzylamino)-4(3H)-pyrimidinone is C11H11N3O.
What is the molecular weight of 2-(Benzylamino)-4(3H)-pyrimidinone?
The molecular weight of 2-(Benzylamino)-4(3H)-pyrimidinone is 201.09 g/mol.
Where can I buy 2-(Benzylamino)-4(3H)-pyrimidinone?
You can request a quote for 2-(Benzylamino)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.