amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile structure](/static/products/3383/338399-20-5.webp)
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-20-5) is a chemical compound with molecular formula C12H7ClF3N5O2 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl] (methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5- pyrimidinecarbonitrile, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile, 1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarbonitrile
| Molecular Formula | C12H7ClF3N5O2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 1.37498 |
| Topological Polar Surface Area | 94.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.02405 |
| Heavy Atoms | 23 |
| Complexity | 912.6231 |
Chemical Identifiers
| CAS Number | 338399-20-5 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)NC2=O)C#N |
Product Overview
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-20-5), with molecular formula C12H7ClF3N5O2 and molecular weight 345.02 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of 1.37498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. The TPSA of 94.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile 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 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 338399-20-5.
What is the molecular formula of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C12H7ClF3N5O2.
What is the molecular weight of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 345.02 g/mol.
Where can I buy 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.