2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

C11H14F3N3O — CID 67309099

IUPAC2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCCCc1cc(C(F)(F)F)nc(CC(N)=O)n1
InChIInChI=1S/C11H14F3N3O/c1-2-3-4-7-5-8(11(12,13)14)17-10(16-7)6-9(15)18/h5H,2-4,6H2,1H3,(H2,15,18)
InChIKeyYALODRLUMYIXAN-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 67309099) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID67309099
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCCCc1cc(C(F)(F)F)nc(CC(N)=O)n1
InChIInChI=1S/C11H14F3N3O/c1-2-3-4-7-5-8(11(12,13)14)17-10(16-7)6-9(15)18/h5H,2-4,6H2,1H3,(H2,15,18)
InChIKeyYALODRLUMYIXAN-UHFFFAOYSA-N
XLogP1.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 67309099) is 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CCCCc1cc(C(F)(F)F)nc(CC(N)=O)n1.
What is the InChIKey of 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is YALODRLUMYIXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-3-4-7-5-8(11(12,13)14)17-10(16-7)6-9(15)18/h5H,2-4,6H2,1H3,(H2,15,18).
What are the key properties of 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 67309099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).