2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide

C16H20ClF3N4O2 — CID 18700278

IUPAC2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide
SMILESCc1nc(OC(C)C(=O)NC(C)(C#N)C(C)(C)C)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C16H20ClF3N4O2/c1-8(12(25)24-15(6,7-21)14(3,4)5)26-13-10(17)11(16(18,19)20)22-9(2)23-13/h8H,1-6H3,(H,24,25)
InChIKeyRZTDTSLCAUVCDZ-UHFFFAOYSA-N
MW392.81 g/mol
LogP3.67
Rot. Bonds4

About 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide

2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide (PubChem CID 18700278) has the molecular formula C16H20ClF3N4O2 and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide
PubChem CID18700278
Molecular FormulaC16H20ClF3N4O2
Molecular Weight392.81 g/mol
Exact Mass392.12
IUPAC Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide
SMILESCc1nc(OC(C)C(=O)NC(C)(C#N)C(C)(C)C)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C16H20ClF3N4O2/c1-8(12(25)24-15(6,7-21)14(3,4)5)26-13-10(17)11(16(18,19)20)22-9(2)23-13/h8H,1-6H3,(H,24,25)
InChIKeyRZTDTSLCAUVCDZ-UHFFFAOYSA-N
XLogP3.67
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide?
The IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide (CID 18700278) is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide?
The canonical SMILES for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide is Cc1nc(OC(C)C(=O)NC(C)(C#N)C(C)(C)C)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide?
The InChIKey is RZTDTSLCAUVCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N4O2/c1-8(12(25)24-15(6,7-21)14(3,4)5)26-13-10(17)11(16(18,19)20)22-9(2)23-13/h8H,1-6H3,(H,24,25).
What are the key properties of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide?
2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide has a molecular weight of 392.81 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-cyano-3,3-dimethylbutan-2-yl)propanamide is sourced from PubChem (CID 18700278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).