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

C7H7F3N4O — CID 142675420

IUPAC2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-1-12-6(13-2-4)14-3-5(11)15/h1-2H,3H2,(H2,11,15)(H,12,13,14)
InChIKeyXGXCUFQNRFAVBA-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.39
Rot. Bonds3

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

2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (PubChem CID 142675420) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
PubChem CID142675420
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC Name2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESNC(=O)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)4-1-12-6(13-2-4)14-3-5(11)15/h1-2H,3H2,(H2,11,15)(H,12,13,14)
InChIKeyXGXCUFQNRFAVBA-UHFFFAOYSA-N
XLogP0.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (CID 142675420) is 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is NC(=O)CNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The InChIKey is XGXCUFQNRFAVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)4-1-12-6(13-2-4)14-3-5(11)15/h1-2H,3H2,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide has a molecular weight of 220.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 142675420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).