1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol

C19H24F3N5O — CID 86900405

IUPAC1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCN1CC(C)O
InChIInChI=1S/C19H24F3N5O/c1-3-14-12-27(9-8-26(14)11-13(2)28)17-10-16(19(20,21)22)24-18(25-17)15-6-4-5-7-23-15/h4-7,10,13-14,28H,3,8-9,11-12H2,1-2H3
InChIKeyZPVBSONOVLGGPL-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.84
Rot. Bonds5

About 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol

1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (PubChem CID 86900405) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
PubChem CID86900405
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
SMILESCCC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCN1CC(C)O
InChIInChI=1S/C19H24F3N5O/c1-3-14-12-27(9-8-26(14)11-13(2)28)17-10-16(19(20,21)22)24-18(25-17)15-6-4-5-7-23-15/h4-7,10,13-14,28H,3,8-9,11-12H2,1-2H3
InChIKeyZPVBSONOVLGGPL-UHFFFAOYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol (CID 86900405) is 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol is CCC1CN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CCN1CC(C)O.
What is the InChIKey of 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is ZPVBSONOVLGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-3-14-12-27(9-8-26(14)11-13(2)28)17-10-16(19(20,21)22)24-18(25-17)15-6-4-5-7-23-15/h4-7,10,13-14,28H,3,8-9,11-12H2,1-2H3.
What are the key properties of 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol?
1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 395.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 86900405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).