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

C9H10F3N3O3 — CID 79258405

IUPAC2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O3/c1-18-7-2-6(13-5-14-7)15(3-8(16)17)4-9(10,11)12/h2,5H,3-4H2,1H3,(H,16,17)
InChIKeyWWZPYFSAXQLTKC-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.94
Rot. Bonds5

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

2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258405) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258405
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C9H10F3N3O3/c1-18-7-2-6(13-5-14-7)15(3-8(16)17)4-9(10,11)12/h2,5H,3-4H2,1H3,(H,16,17)
InChIKeyWWZPYFSAXQLTKC-UHFFFAOYSA-N
XLogP0.94
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258405) is 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is COc1cc(N(CC(=O)O)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WWZPYFSAXQLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-18-7-2-6(13-5-14-7)15(3-8(16)17)4-9(10,11)12/h2,5H,3-4H2,1H3,(H,16,17).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).