1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

C20H24F3N5O2 — CID 71855256

IUPAC1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)C1CCCO1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-12-18(26-19(25-17)14-4-1-2-6-24-14)28-9-7-27(8-10-28)13-15(29)16-5-3-11-30-16/h1-2,4,6,12,15-16,29H,3,5,7-11,13H2
InChIKeyTVAPYPRYQXODOA-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.22
Rot. Bonds5

About 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 71855256) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID71855256
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)C1CCCO1
InChIInChI=1S/C20H24F3N5O2/c21-20(22,23)17-12-18(26-19(25-17)14-4-1-2-6-24-14)28-9-7-27(8-10-28)13-15(29)16-5-3-11-30-16/h1-2,4,6,12,15-16,29H,3,5,7-11,13H2
InChIKeyTVAPYPRYQXODOA-UHFFFAOYSA-N
XLogP2.22
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 71855256) is 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is OC(CN1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is TVAPYPRYQXODOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c21-20(22,23)17-12-18(26-19(25-17)14-4-1-2-6-24-14)28-9-7-27(8-10-28)13-15(29)16-5-3-11-30-16/h1-2,4,6,12,15-16,29H,3,5,7-11,13H2.
What are the key properties of 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 423.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-2-[4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71855256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).