(3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
TL;DR: (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one (CAS 338422-81-4) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
Also Known As: 3-[(dimethylamino)methylene]-1-(2-pyrimidinyl)-2-pyrrolidinone, (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
| Molecular Formula | C11H14N4O |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 0.6588 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.11676 |
| Heavy Atoms | 16 |
| Complexity | 413.25256 |
Chemical Identifiers
| CAS Number | 338422-81-4 |
|---|---|
| SMILES | CN(C)/C=C/1\CCN(C1=O)C2=NC=CC=N2 |
Product Overview
(3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one (CAS 338422-81-4), with molecular formula C11H14N4O and molecular weight 218.12 g/mol. IUPAC: (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one.
Chemical Property Profile of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
Property Insights of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
The XLogP value of 0.6588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one. With a topological polar surface area (TPSA) of 49.33 Ų, (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one has 0 hydrogen bond donor(s) and 4 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 (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one?
The CAS number of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one is 338422-81-4.
What is the molecular formula of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one?
The molecular formula of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one is C11H14N4O.
What is the molecular weight of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one?
The molecular weight of (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one is 218.12 g/mol.
Where can I buy (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one?
You can request a quote for (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-(dimethylaminomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.