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

C9H11F3N4O2 — CID 103766936

IUPAC2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O2/c10-9(11,12)6-1-2-14-8(16-6)15-3-4-18-5-7(13)17/h1-2H,3-5H2,(H2,13,17)(H,14,15,16)
InChIKeyWFZZBGJCGBOYGF-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.41
Rot. Bonds6

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

2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide (PubChem CID 103766936) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
PubChem CID103766936
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4O2/c10-9(11,12)6-1-2-14-8(16-6)15-3-4-18-5-7(13)17/h1-2H,3-5H2,(H2,13,17)(H,14,15,16)
InChIKeyWFZZBGJCGBOYGF-UHFFFAOYSA-N
XLogP0.41
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
2-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethoxy]acetamide
CID 103766928
2-[2-[2-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxan-2-yl]methoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 176825499
2-[2-[(4-amino-2-pyridinyl)amino]ethoxy]acetamide
CID 106234601
2-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrimidine-4-carboxylic acid
CID 107553989
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
4,4-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]hexanoic acid
CID 65285293
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 120667053
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708120
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 60507961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide (CID 103766936) is 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide is NC(=O)COCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide?
The InChIKey is WFZZBGJCGBOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c10-9(11,12)6-1-2-14-8(16-6)15-3-4-18-5-7(13)17/h1-2H,3-5H2,(H2,13,17)(H,14,15,16).
What are the key properties of 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide?
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide has a molecular weight of 264.21 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 103766936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).