5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

C7H10F3N3 — CID 103314785

IUPAC5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)C1CCN=C2NCCN21
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-11-6-12-3-4-13(5)6/h5H,1-4H2,(H,11,12)
InChIKeyLUUGUOAGVBZPRE-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.58
Rot. Bonds

About 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103314785) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103314785
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)(F)C1CCN=C2NCCN21
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-11-6-12-3-4-13(5)6/h5H,1-4H2,(H,11,12)
InChIKeyLUUGUOAGVBZPRE-UHFFFAOYSA-N
XLogP0.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103314785) is 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is FC(F)(F)C1CCN=C2NCCN21.
What is the InChIKey of 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is LUUGUOAGVBZPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-11-6-12-3-4-13(5)6/h5H,1-4H2,(H,11,12).
What are the key properties of 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 193.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103314785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).