5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C13H15F3N4 — CID 95827880

IUPAC5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCN1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1
InChIInChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)18-12-17-4-7-20(10)12/h4,7-9H,2-3,5-6H2,1H3
InChIKeySZIDMVKIEHKXIM-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.56
Rot. Bonds1

About 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 95827880) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID95827880
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCN1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1
InChIInChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)18-12-17-4-7-20(10)12/h4,7-9H,2-3,5-6H2,1H3
InChIKeySZIDMVKIEHKXIM-UHFFFAOYSA-N
XLogP2.56
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 95827880) is 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CN1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is SZIDMVKIEHKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)18-12-17-4-7-20(10)12/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 284.28 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 95827880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).