ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate

C12H16F3N3O2 — CID 64584141

IUPACethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
SMILESCCCN(CC(=O)OCC)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-7-18(8-10(19)20-4-2)11-16-6-5-9(17-11)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeySSJHMGRMTATTOP-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate

ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate (PubChem CID 64584141) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
PubChem CID64584141
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nameethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate
SMILESCCCN(CC(=O)OCC)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-3-7-18(8-10(19)20-4-2)11-16-6-5-9(17-11)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3
InChIKeySSJHMGRMTATTOP-UHFFFAOYSA-N
XLogP2.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
2-[ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 56786352
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
CID 103204951
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
2-[prop-2-ynyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 79275178
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
ethyl 2-[4-bromo-N-propyl-2-(trifluoromethyl)anilino]acetate
CID 65483634
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
CID 62358589
ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 125129375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate (CID 64584141) is ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate is CCCN(CC(=O)OCC)c1nccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate?
The InChIKey is SSJHMGRMTATTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-7-18(8-10(19)20-4-2)11-16-6-5-9(17-11)12(13,14)15/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate?
ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate has a molecular weight of 291.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetate is sourced from PubChem (CID 64584141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).