![4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile structure](/static/products/3391/339111-12-5.webp)
4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile
TL;DR: 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile (CAS 339111-12-5) is a chemical compound with molecular formula C16H13N5O and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile
Also Known As: 4-[(2-oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile, 4-({[(3Z)-2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile, 4-({[2-oxo-1-(2-pyrimidinyl)-3-pyrrolidinylidene]methyl}amino)benzenecarbonitrile, 4-({[2-oxo-1-(pyrimidin-2-yl)pyrrolidin-3-ylidene]methyl}amino)benzonitrile
| Molecular Formula | C16H13N5O |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 2.08098 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.112 |
| Heavy Atoms | 22 |
| Complexity | 746.35565 |
Chemical Identifiers
| CAS Number | 339111-12-5 |
|---|---|
| SMILES | C1CN(C(=O)C1=CNC2=CC=C(C=C2)C#N)C3=NC=CC=N3 |
Product Overview
4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile (CAS 339111-12-5), with molecular formula C16H13N5O and molecular weight 291.11 g/mol. IUPAC: 4-[(2-oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile.
Chemical Property Profile of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile
Property Insights of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile
The XLogP value of 2.08098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile has 1 hydrogen bond donor(s) and 5 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-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile?
The CAS number of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile is 339111-12-5.
What is the molecular formula of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile?
The molecular formula of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile is C16H13N5O.
What is the molecular weight of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile?
The molecular weight of 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile is 291.11 g/mol.
Where can I buy 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile?
You can request a quote for 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Oxo-1-pyrimidin-2-ylpyrrolidin-3-ylidene)methylamino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.