2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H17F3N4O — CID 121180514

IUPAC2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-8-12(19-9-18-11)20-3-5-21(6-4-20)13(22)7-10-1-2-10/h8-10H,1-7H2
InChIKeyQLADFVLXQQYUHE-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.94
Rot. Bonds3

About 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 121180514) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID121180514
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)11-8-12(19-9-18-11)20-3-5-21(6-4-20)13(22)7-10-1-2-10/h8-10H,1-7H2
InChIKeyQLADFVLXQQYUHE-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 121180514) is 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is O=C(CC1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is QLADFVLXQQYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)11-8-12(19-9-18-11)20-3-5-21(6-4-20)13(22)7-10-1-2-10/h8-10H,1-7H2.
What are the key properties of 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 314.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121180514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).