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

C16H21ClF3N3O3 — CID 18700282

IUPAC2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide
SMILESCC(=O)C(C)(NC(=O)C(C)Oc1nc(C)nc(C(F)(F)F)c1Cl)C(C)C
InChIInChI=1S/C16H21ClF3N3O3/c1-7(2)15(6,9(4)24)23-13(25)8(3)26-14-11(17)12(16(18,19)20)21-10(5)22-14/h7-8H,1-6H3,(H,23,25)
InChIKeyAICPBQYHBVFQHZ-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.34
Rot. Bonds6

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

2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide (PubChem CID 18700282) has the molecular formula C16H21ClF3N3O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide
PubChem CID18700282
Molecular FormulaC16H21ClF3N3O3
Molecular Weight395.81 g/mol
Exact Mass395.12
IUPAC Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide
SMILESCC(=O)C(C)(NC(=O)C(C)Oc1nc(C)nc(C(F)(F)F)c1Cl)C(C)C
InChIInChI=1S/C16H21ClF3N3O3/c1-7(2)15(6,9(4)24)23-13(25)8(3)26-14-11(17)12(16(18,19)20)21-10(5)22-14/h7-8H,1-6H3,(H,23,25)
InChIKeyAICPBQYHBVFQHZ-UHFFFAOYSA-N
XLogP3.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide?
The IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide (CID 18700282) is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide?
The canonical SMILES for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide is CC(=O)C(C)(NC(=O)C(C)Oc1nc(C)nc(C(F)(F)F)c1Cl)C(C)C.
What is the InChIKey of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide?
The InChIKey is AICPBQYHBVFQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O3/c1-7(2)15(6,9(4)24)23-13(25)8(3)26-14-11(17)12(16(18,19)20)21-10(5)22-14/h7-8H,1-6H3,(H,23,25).
What are the key properties of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide?
2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2,3-dimethyl-4-oxopentan-3-yl)propanamide has a molecular weight of 395.81 g/mol, XLogP of 3.34, 6 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-(2,3-dimethyl-4-oxopentan-3-yl)propanamide is sourced from PubChem (CID 18700282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).