(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C16H18F3N5O — CID 128996068

IUPAC(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-6-12(22-10(2)21-9)15(25)24-5-3-4-11(8-24)14-20-7-13(23-14)16(17,18)19/h6-7,11H,3-5,8H2,1-2H3,(H,20,23)
InChIKeyOBJTWUNUPURHRK-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.86
Rot. Bonds2

About (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128996068) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128996068
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc(C)n1
InChIInChI=1S/C16H18F3N5O/c1-9-6-12(22-10(2)21-9)15(25)24-5-3-4-11(8-24)14-20-7-13(23-14)16(17,18)19/h6-7,11H,3-5,8H2,1-2H3,(H,20,23)
InChIKeyOBJTWUNUPURHRK-UHFFFAOYSA-N
XLogP2.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 128996068) is (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is OBJTWUNUPURHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-9-6-12(22-10(2)21-9)15(25)24-5-3-4-11(8-24)14-20-7-13(23-14)16(17,18)19/h6-7,11H,3-5,8H2,1-2H3,(H,20,23).
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?
(2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 353.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128996068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).