6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile
TL;DR: 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile (CAS 1274947-89-5) is a chemical compound with molecular formula C16H10ClN5OS and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile
Also Known As: 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile, 5-(1-Aza-2-(3-thienyl)vinyl)-3-(4-chlorophenyl)-4-imino-2-oxo-1H-1,3-diazine-6-carbonitrile
| Molecular Formula | C16H10ClN5OS |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 3.15188 |
| Topological Polar Surface Area | 97.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.02945 |
| Heavy Atoms | 24 |
| Complexity | 1000.68243 |
Chemical Identifiers
| CAS Number | 1274947-89-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C(=NC2=O)C#N)N=CC3=CSC=C3)N)Cl |
Product Overview
6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile (CAS 1274947-89-5), with molecular formula C16H10ClN5OS and molecular weight 355.03 g/mol. IUPAC: 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile.
Chemical Property Profile of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile
Property Insights of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile
The XLogP value of 3.15188 indicates that 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile has 1 hydrogen bond donor(s) and 6 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 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile?
The CAS number of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile is 1274947-89-5.
What is the molecular formula of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile?
The molecular formula of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile is C16H10ClN5OS.
What is the molecular weight of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile?
The molecular weight of 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile is 355.03 g/mol.
Where can I buy 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile?
You can request a quote for 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-1-(4-chlorophenyl)-2-oxo-5-(thiophen-3-ylmethylideneamino)pyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.