N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

C9H11F3N4O — CID 60732159

IUPACN-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-2-13-7(17)5-15-8-14-4-3-6(16-8)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyQLURVSKFKGCFOW-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.04
Rot. Bonds4

About N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide

N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (PubChem CID 60732159) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
PubChem CID60732159
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O/c1-2-13-7(17)5-15-8-14-4-3-6(16-8)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyQLURVSKFKGCFOW-UHFFFAOYSA-N
XLogP1.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide (CID 60732159) is N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is CCNC(=O)CNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
The InChIKey is QLURVSKFKGCFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-2-13-7(17)5-15-8-14-4-3-6(16-8)9(10,11)12/h3-4H,2,5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide?
N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide has a molecular weight of 248.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide is sourced from PubChem (CID 60732159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).