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

C13H15F3N4 — CID 118740384

IUPAC7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)20-7-4-17-12(20)18-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyORFMKASUUHOQDX-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.56
Rot. Bonds1

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

7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 118740384) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID118740384
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)20-7-4-17-12(20)18-10/h4,7-9H,2-3,5-6H2,1H3
InChIKeyORFMKASUUHOQDX-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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Related Compounds

7-(Trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-2-yl)imidazo[1,2-a]pyrimidine
CID 9945466
3-(Pyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 9921462
2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
4-[7-[(Dimethylamino)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 155538789
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-1-phenylmethanamine
CID 2473900
6-(4-cyclopentylpyrimidin-2-yl)-2-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56701122
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine
CID 56881049
4-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]-1-piperazinyl}-6-(trifluoromethyl)pyrimidine
CID 56906811
6-cyclopropyl-N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 72916098

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 118740384) is 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is ORFMKASUUHOQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-19-5-2-9(3-6-19)10-8-11(13(14,15)16)20-7-4-17-12(20)18-10/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
7-(1-methylpiperidin-4-yl)-5-(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 7-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118740384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).