ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate

C9H10F3N3O3 — CID 136741382

IUPACethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-2-18-7(17)4-13-8-14-5(9(10,11)12)3-6(16)15-8/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyHCDBQUYADRLVLX-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.76
Rot. Bonds4

About ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate

ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate (PubChem CID 136741382) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
PubChem CID136741382
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Nameethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-2-18-7(17)4-13-8-14-5(9(10,11)12)3-6(16)15-8/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyHCDBQUYADRLVLX-UHFFFAOYSA-N
XLogP0.76
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-dimethoxyethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350741
2-(3-ethoxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350757
2-(3-methoxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388258
n-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]glycine
CID 136388269
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]propanoic acid
CID 136388270
2-[(2-Methoxyethyl)amino]-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388284
methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741316
2-[2,2-dimethoxyethyl(methyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741370
ethyl 2-[4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazin-1-yl]acetate
CID 136741425
2-[Bis-(2-methoxy-ethyl)-amino]-6-trifluoromethyl-pyrimidin-4-ol
CID 136741434
methyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135763980
ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
CID 136723287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate (CID 136741382) is ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate is CCOC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The InChIKey is HCDBQUYADRLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-2-18-7(17)4-13-8-14-5(9(10,11)12)3-6(16)15-8/h3H,2,4H2,1H3,(H2,13,14,15,16).
What are the key properties of ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate has a molecular weight of 265.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate is sourced from PubChem (CID 136741382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).