1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
TL;DR: 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (CAS 80677-13-0) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-1,3-diazinan-2-one
Also Known As: 1-p-tolyl-tetrahydro-pyrimidin-2-one, 1-(4-methylphenyl)-1,3-diazinan-2-one, 1-(p-Tolyl)tetrahydro-2(1H)-pyrimidinone, J1.391.194K, 1-(4-methylphenyl)tetrahydropyrimidin-2(1h)-one
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 80677-13-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCCNC2=O |
| InChIKey | SOWIRFQIOKZPMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (CAS 80677-13-0), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 1-(4-methylphenyl)-1,3-diazinan-2-one.
Chemical Property Profile of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
Property Insights of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone. With a topological polar surface area (TPSA) of 32.3 Ų, 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Tolyl)-3,4,5,6-tetrahydro-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 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone?
The CAS number of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is 80677-13-0.
What is the molecular formula of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone?
The molecular formula of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is C11H14N2O.
What is the molecular weight of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone?
The molecular weight of 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is 190.11 g/mol.
Where can I buy 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone?
You can request a quote for 1-(p-Tolyl)-3,4,5,6-tetrahydro-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 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Tolyl)-3,4,5,6-tetrahydro-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.