3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine

C9H10F3N3 — CID 169043755

IUPAC3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine
SMILESCCC1=CNc2cnc(C(F)(F)F)n2C1
InChIInChI=1S/C9H10F3N3/c1-2-6-3-13-7-4-14-8(9(10,11)12)15(7)5-6/h3-4,13H,2,5H2,1H3
InChIKeySQVQUGKQAGOBAY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.62
Rot. Bonds1

About 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine

3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine (PubChem CID 169043755) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine
PubChem CID169043755
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine
SMILESCCC1=CNc2cnc(C(F)(F)F)n2C1
InChIInChI=1S/C9H10F3N3/c1-2-6-3-13-7-4-14-8(9(10,11)12)15(7)5-6/h3-4,13H,2,5H2,1H3
InChIKeySQVQUGKQAGOBAY-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine?
The IUPAC name of 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine (CID 169043755) is 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine?
The canonical SMILES for 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine is CCC1=CNc2cnc(C(F)(F)F)n2C1.
What is the InChIKey of 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine?
The InChIKey is SQVQUGKQAGOBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-2-6-3-13-7-4-14-8(9(10,11)12)15(7)5-6/h3-4,13H,2,5H2,1H3.
What are the key properties of 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine?
3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine has a molecular weight of 217.19 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(trifluoromethyl)-1,4-dihydroimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 169043755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).