2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one

C8H5F3IN3O — CID 176653441

IUPAC2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(CC(F)(F)F)ccc2nc(I)cn12
InChIInChI=1S/C8H5F3IN3O/c9-8(10,11)4-14-2-1-6-13-5(12)3-15(6)7(14)16/h1-3H,4H2
InChIKeyZYJVGXOLDUPTLG-UHFFFAOYSA-N
MW343.05 g/mol
LogP1.66
Rot. Bonds1

About 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one

2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 176653441) has the molecular formula C8H5F3IN3O and a molecular weight of 343.05 g/mol. Its IUPAC name is 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID176653441
Molecular FormulaC8H5F3IN3O
Molecular Weight343.05 g/mol
Exact Mass342.94
IUPAC Name2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(CC(F)(F)F)ccc2nc(I)cn12
InChIInChI=1S/C8H5F3IN3O/c9-8(10,11)4-14-2-1-6-13-5(12)3-15(6)7(14)16/h1-3H,4H2
InChIKeyZYJVGXOLDUPTLG-UHFFFAOYSA-N
XLogP1.66
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.05
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one (CID 176653441) is 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one is O=c1n(CC(F)(F)F)ccc2nc(I)cn12.
What is the InChIKey of 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ZYJVGXOLDUPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3IN3O/c9-8(10,11)4-14-2-1-6-13-5(12)3-15(6)7(14)16/h1-3H,4H2.
What are the key properties of 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one?
2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 343.05 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-(2,2,2-trifluoroethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 176653441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).