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

C16H23ClF3N3O3 — CID 139851828

IUPAC2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
SMILESCc1nc(OC(C)C(=O)NC(C)(C(C)C)C(C)O)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C16H23ClF3N3O3/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/h7-9,24H,1-6H3,(H,23,25)
InChIKeyKAWYKUMJBHYEQH-UHFFFAOYSA-N
MW397.83 g/mol
LogP3.14
Rot. Bonds6

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

2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide (PubChem CID 139851828) has the molecular formula C16H23ClF3N3O3 and a molecular weight of 397.83 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
PubChem CID139851828
Molecular FormulaC16H23ClF3N3O3
Molecular Weight397.83 g/mol
Exact Mass397.14
IUPAC Name2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
SMILESCc1nc(OC(C)C(=O)NC(C)(C(C)C)C(C)O)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C16H23ClF3N3O3/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/h7-9,24H,1-6H3,(H,23,25)
InChIKeyKAWYKUMJBHYEQH-UHFFFAOYSA-N
XLogP3.14
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
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-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide (CID 139851828) is 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide is Cc1nc(OC(C)C(=O)NC(C)(C(C)C)C(C)O)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-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
The InChIKey is KAWYKUMJBHYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClF3N3O3/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/h7-9,24H,1-6H3,(H,23,25).
What are the key properties of 2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide?
2-[5-chloro-2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide has a molecular weight of 397.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 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-hydroxy-3,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 139851828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).