3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid

C11H11F3N4O2 — CID 79790769

IUPAC3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
SMILESCC(NCc1cn2cccnc2n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-10(8(19)20,11(12,13)14)16-5-7-6-18-4-2-3-15-9(18)17-7/h2-4,6,16H,5H2,1H3,(H,19,20)
InChIKeyJHJXGROGHMICLR-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.22
Rot. Bonds4

About 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid

3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid (PubChem CID 79790769) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
PubChem CID79790769
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid
SMILESCC(NCc1cn2cccnc2n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2/c1-10(8(19)20,11(12,13)14)16-5-7-6-18-4-2-3-15-9(18)17-7/h2-4,6,16H,5H2,1H3,(H,19,20)
InChIKeyJHJXGROGHMICLR-UHFFFAOYSA-N
XLogP1.22
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid (CID 79790769) is 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid is CC(NCc1cn2cccnc2n1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid?
The InChIKey is JHJXGROGHMICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-10(8(19)20,11(12,13)14)16-5-7-6-18-4-2-3-15-9(18)17-7/h2-4,6,16H,5H2,1H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid?
3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid has a molecular weight of 288.23 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(imidazo[1,2-a]pyrimidin-2-ylmethylamino)-2-methylpropanoic acid is sourced from PubChem (CID 79790769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).