2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H12F3N3O3 — CID 79258649

IUPAC2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C10H12F3N3O3/c1-2-19-8-3-7(14-6-15-8)16(4-9(17)18)5-10(11,12)13/h3,6H,2,4-5H2,1H3,(H,17,18)
InChIKeyFHSSWUAKQBREOT-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.33
Rot. Bonds6

About 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258649) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258649
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C10H12F3N3O3/c1-2-19-8-3-7(14-6-15-8)16(4-9(17)18)5-10(11,12)13/h3,6H,2,4-5H2,1H3,(H,17,18)
InChIKeyFHSSWUAKQBREOT-UHFFFAOYSA-N
XLogP1.33
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258649) is 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCOc1cc(N(CC(=O)O)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FHSSWUAKQBREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-2-19-8-3-7(14-6-15-8)16(4-9(17)18)5-10(11,12)13/h3,6H,2,4-5H2,1H3,(H,17,18).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.22 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).