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

C8H8F3N3O3 — CID 136741316

IUPACmethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F3N3O3/c1-17-6(16)3-12-7-13-4(8(9,10)11)2-5(15)14-7/h2H,3H2,1H3,(H2,12,13,14,15)
InChIKeyXXLIWSSODDMEFZ-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.37
Rot. Bonds3

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

methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate (PubChem CID 136741316) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
PubChem CID136741316
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Namemethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H8F3N3O3/c1-17-6(16)3-12-7-13-4(8(9,10)11)2-5(15)14-7/h2H,3H2,1H3,(H2,12,13,14,15)
InChIKeyXXLIWSSODDMEFZ-UHFFFAOYSA-N
XLogP0.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate with MolForge

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Related Compounds

2-(2,2-dimethoxyethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350741
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]butanoic acid
CID 136388267
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
2-[2,2-dimethoxyethyl(methyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741370
ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741382
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
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135772253
ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
CID 136723287

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate (CID 136741316) is methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate is COC(=O)CNc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
The InChIKey is XXLIWSSODDMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c1-17-6(16)3-12-7-13-4(8(9,10)11)2-5(15)14-7/h2H,3H2,1H3,(H2,12,13,14,15).
What are the key properties of methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate?
methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate has a molecular weight of 251.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate is sourced from PubChem (CID 136741316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).