5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C16H15F3N6 — CID 110258989

IUPAC5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(C2CCCN(c3ncccn3)C2)n2ccnc2n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)13-9-12(25-8-6-22-15(25)23-13)11-3-1-7-24(10-11)14-20-4-2-5-21-14/h2,4-6,8-9,11H,1,3,7,10H2
InChIKeyVEHNXAHCDSBGPG-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.92
Rot. Bonds2

About 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 110258989) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID110258989
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFC(F)(F)c1cc(C2CCCN(c3ncccn3)C2)n2ccnc2n1
InChIInChI=1S/C16H15F3N6/c17-16(18,19)13-9-12(25-8-6-22-15(25)23-13)11-3-1-7-24(10-11)14-20-4-2-5-21-14/h2,4-6,8-9,11H,1,3,7,10H2
InChIKeyVEHNXAHCDSBGPG-UHFFFAOYSA-N
XLogP2.92
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-2-yl)imidazo[1,2-a]pyrimidine
CID 9945466
2-(6-(7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl)pyridin-2-yl)benzonitrile
CID 10292263
2-(4-Fluoro-phenyl)-3-pyridin-4-yl-imidazo[1,2-a]pyrimidin-7-ylamine
CID 9882951
3-(Pyridin-2-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 9921462
2-(4-(7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl)pyridin-2-yl)benzonitrile
CID 9947245
US11312705, Example 17
CID 142426977
7-Methyl-2-phenyl-5-[4-(2-pyridinyl)piperazino]imidazo[1,2-a]pyrimidine
CID 1472741
1-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-9-methyl-9H-2,4,5,9-tetraaza-fluorene
CID 11177283
3-(2-(2-Fluorophenyl)pyridin-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 44408209
2-(5-(7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl)pyridin-3-yl)benzonitrile
CID 44408345
7-Methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183035
2-Phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 110258989) is 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is FC(F)(F)c1cc(C2CCCN(c3ncccn3)C2)n2ccnc2n1.
What is the InChIKey of 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is VEHNXAHCDSBGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)13-9-12(25-8-6-22-15(25)23-13)11-3-1-7-24(10-11)14-20-4-2-5-21-14/h2,4-6,8-9,11H,1,3,7,10H2.
What are the key properties of 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 348.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrimidin-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110258989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).