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

C15H19F3N4 — CID 110258503

IUPAC5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)N1CCCC(c2cc(C(F)(F)F)nc3nccn23)C1
InChIInChI=1S/C15H19F3N4/c1-10(2)21-6-3-4-11(9-21)12-8-13(15(16,17)18)20-14-19-5-7-22(12)14/h5,7-8,10-11H,3-4,6,9H2,1-2H3
InChIKeyHRSKUXJPFMWQGC-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.34
Rot. Bonds2

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

5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 110258503) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID110258503
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)N1CCCC(c2cc(C(F)(F)F)nc3nccn23)C1
InChIInChI=1S/C15H19F3N4/c1-10(2)21-6-3-4-11(9-21)12-8-13(15(16,17)18)20-14-19-5-7-22(12)14/h5,7-8,10-11H,3-4,6,9H2,1-2H3
InChIKeyHRSKUXJPFMWQGC-UHFFFAOYSA-N
XLogP3.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.34
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
7-Methyl-2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183035
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
3-[(4-Methylpiperazin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyrimidine
CID 122183048
1-[[4,4-Difluoro-3-(2-phenylethyl)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 134154730
2-(4-Fluorophenyl)-7-methyl-5-(4-methylpiperazino)imidazo[1,2-a]pyrimidine
CID 1481913
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
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56706955

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 110258503) is 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CC(C)N1CCCC(c2cc(C(F)(F)F)nc3nccn23)C1.
What is the InChIKey of 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is HRSKUXJPFMWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-10(2)21-6-3-4-11(9-21)12-8-13(15(16,17)18)20-14-19-5-7-22(12)14/h5,7-8,10-11H,3-4,6,9H2,1-2H3.
What are the key properties of 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpiperidin-3-yl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110258503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).