N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide

C7H6F3N3O — CID 169221880

IUPACN-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O/c1-4(14)13-6-11-2-5(3-12-6)7(8,9)10/h2-3H,1H3,(H,11,12,13,14)
InChIKeyRFNSDUHJJWFQQD-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.45
Rot. Bonds1

About N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide

N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 169221880) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID169221880
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC NameN-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3N3O/c1-4(14)13-6-11-2-5(3-12-6)7(8,9)10/h2-3H,1H3,(H,11,12,13,14)
InChIKeyRFNSDUHJJWFQQD-UHFFFAOYSA-N
XLogP1.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 169221880) is N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide is CC(=O)Nc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is RFNSDUHJJWFQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c1-4(14)13-6-11-2-5(3-12-6)7(8,9)10/h2-3H,1H3,(H,11,12,13,14).
What are the key properties of N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 205.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 169221880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).