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

C11H14F3N3O — CID 67309096

IUPACN-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCCCc1cc(C(F)(F)F)nc(NC(C)=O)n1
InChIInChI=1S/C11H14F3N3O/c1-3-4-5-8-6-9(11(12,13)14)17-10(16-8)15-7(2)18/h6H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyYYKMZNSUQYXJNH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.80
Rot. Bonds4

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

N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 67309096) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID67309096
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCCCCc1cc(C(F)(F)F)nc(NC(C)=O)n1
InChIInChI=1S/C11H14F3N3O/c1-3-4-5-8-6-9(11(12,13)14)17-10(16-8)15-7(2)18/h6H,3-5H2,1-2H3,(H,15,16,17,18)
InChIKeyYYKMZNSUQYXJNH-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 67309096) is N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CCCCc1cc(C(F)(F)F)nc(NC(C)=O)n1.
What is the InChIKey of N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is YYKMZNSUQYXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-3-4-5-8-6-9(11(12,13)14)17-10(16-8)15-7(2)18/h6H,3-5H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 261.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 67309096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).