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

C11H14F3N3O2 — CID 79258562

IUPAC2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)c1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)8-3-9(16-6-15-8)17(4-10(18)19)5-11(12,13)14/h3,6-7H,4-5H2,1-2H3,(H,18,19)
InChIKeyHGKGNUXKNKZHJK-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.05
Rot. Bonds5

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

2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258562) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258562
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(C)c1cc(N(CC(=O)O)CC(F)(F)F)ncn1
InChIInChI=1S/C11H14F3N3O2/c1-7(2)8-3-9(16-6-15-8)17(4-10(18)19)5-11(12,13)14/h3,6-7H,4-5H2,1-2H3,(H,18,19)
InChIKeyHGKGNUXKNKZHJK-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258562) is 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(C)c1cc(N(CC(=O)O)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is HGKGNUXKNKZHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7(2)8-3-9(16-6-15-8)17(4-10(18)19)5-11(12,13)14/h3,6-7H,4-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 277.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propan-2-ylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).