2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one

C8H6F3N3O — CID 125486355

IUPAC2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C8H6F3N3O/c1-4-3-14-6(15)2-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13)
InChIKeyXMEQWGLGBKKMPP-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.35
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one

2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 125486355) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID125486355
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C8H6F3N3O/c1-4-3-14-6(15)2-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13)
InChIKeyXMEQWGLGBKKMPP-UHFFFAOYSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one (CID 125486355) is 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is XMEQWGLGBKKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-4-3-14-6(15)2-5(8(9,10)11)13-7(14)12-4/h2-3H,1H3,(H,12,13).
What are the key properties of 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one?
2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 217.15 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 125486355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).