2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

C11H11F3N4O2 — CID 79258104

IUPAC2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cn2cccnc2n1)CC(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)7-17(6-9(19)20)4-8-5-18-3-1-2-15-10(18)16-8/h1-3,5H,4,6-7H2,(H,19,20)
InChIKeyYOPAFRDKDIOECF-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.18
Rot. Bonds5

About 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258104) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258104
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1cn2cccnc2n1)CC(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)7-17(6-9(19)20)4-8-5-18-3-1-2-15-10(18)16-8/h1-3,5H,4,6-7H2,(H,19,20)
InChIKeyYOPAFRDKDIOECF-UHFFFAOYSA-N
XLogP1.18
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258104) is 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(Cc1cn2cccnc2n1)CC(F)(F)F.
What is the InChIKey of 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YOPAFRDKDIOECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-11(13,14)7-17(6-9(19)20)4-8-5-18-3-1-2-15-10(18)16-8/h1-3,5H,4,6-7H2,(H,19,20).
What are the key properties of 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 288.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[imidazo[1,2-a]pyrimidin-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).