![6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile structure](/static/products/1048/1048915-54-3.webp)
6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
TL;DR: 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-54-3) is a chemical compound with molecular formula C17H10F3N5OS and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-oxo-5-(thiophen-3-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile
Also Known As: 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile, 6-imino-2-oxo-5-{[(E)-3-thienylmethylidene]amino}-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile, 6-amino-2-oxo-5-(thiophen-3-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile, 6-amino-2-oxo-5-[(thiophen-3-ylmethylidene)amino]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile, 6-Imino-2-oxo-5-{(E)-3-thienylmethylideneamino}-1-3-(trifluoromethyl)phenyl-1,2,3,6-tetrahydro-4-pyrimidinecarbonitrile
| Molecular Formula | C17H10F3N5OS |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 3.51728 |
| Topological Polar Surface Area | 97.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.05582 |
| Heavy Atoms | 27 |
| Complexity | 1111.0731 |
Chemical Identifiers
| CAS Number | 1048915-54-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CSC=C3)N)C(F)(F)F |
Product Overview
6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-54-3), with molecular formula C17H10F3N5OS and molecular weight 389.06 g/mol. IUPAC: 6-amino-2-oxo-5-(thiophen-3-ylmethylideneamino)-1-[3-(trifluoromethyl)phenyl]pyrimidine-4-carbonitrile.
Chemical Property Profile of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
Property Insights of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile
The XLogP value of 3.51728 indicates that 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-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-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile. Following Lipinski's Rule of Five, 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-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-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The CAS number of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 1048915-54-3.
What is the molecular formula of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular formula of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is C17H10F3N5OS.
What is the molecular weight of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
The molecular weight of 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile is 389.06 g/mol.
Where can I buy 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
You can request a quote for 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-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-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-2-oxo-5-[(E)-[(thiophen-3-yl)methylidene]amino]-1-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyrimidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.