![1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile structure](/static/products/3031/303152-97-8.webp)
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile
TL;DR: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile (CAS 303152-97-8) is a chemical compound with molecular formula C17H16ClF3N6O and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-[2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile
Also Known As: 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-[2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile
| Molecular Formula | C17H16ClF3N6O |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 2.82658 |
| Topological Polar Surface Area | 86.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.10263 |
| Heavy Atoms | 28 |
| Complexity | 978.32385 |
Chemical Identifiers
| CAS Number | 303152-97-8 |
|---|---|
| SMILES | CN(C)C=CC1=C(C(=O)N=CN1CCNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile (CAS 303152-97-8), with molecular formula C17H16ClF3N6O and molecular weight 412.10 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-[2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile
Property Insights of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile
The XLogP value of 2.82658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile. The TPSA of 86.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile 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 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile?
The CAS number of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile is 303152-97-8.
What is the molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile is C17H16ClF3N6O.
What is the molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile is 412.10 g/mol.
Where can I buy 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-[2-(dimethylamino)vinyl]-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.