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

C8H8F3N3O — CID 24827743

IUPACN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-4-3-6(8(9,10)11)14-7(12-4)13-5(2)15/h3H,1-2H3,(H,12,13,14,15)
InChIKeyYPWYXXACELMUDU-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.76
Rot. Bonds1

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

N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 24827743) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID24827743
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-4-3-6(8(9,10)11)14-7(12-4)13-5(2)15/h3H,1-2H3,(H,12,13,14,15)
InChIKeyYPWYXXACELMUDU-UHFFFAOYSA-N
XLogP1.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 24827743) is N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is YPWYXXACELMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-4-3-6(8(9,10)11)14-7(12-4)13-5(2)15/h3H,1-2H3,(H,12,13,14,15).
What are the key properties of N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 219.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 24827743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).