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

C10H12F3N3O2 — CID 79258402

IUPAC2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C10H12F3N3O2/c1-2-7-3-8(15-6-14-7)16(4-9(17)18)5-10(11,12)13/h3,6H,2,4-5H2,1H3,(H,17,18)
InChIKeyUYPUHVSDVPCFKS-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.49
Rot. Bonds5

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

2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258402) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258402
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C10H12F3N3O2/c1-2-7-3-8(15-6-14-7)16(4-9(17)18)5-10(11,12)13/h3,6H,2,4-5H2,1H3,(H,17,18)
InChIKeyUYPUHVSDVPCFKS-UHFFFAOYSA-N
XLogP1.49
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258402) is 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1cc(N(CC(=O)O)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is UYPUHVSDVPCFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-2-7-3-8(15-6-14-7)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-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 263.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).