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

C16H23F3N4O2 — CID 70722657

IUPAC2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-4-25-10-14(24)22-5-7-23(8-6-22)15-20-12(11(2)3)9-13(21-15)16(17,18)19/h9,11H,4-8,10H2,1-3H3
InChIKeyXDPRHDXUYGKACX-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.30
Rot. Bonds5

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

2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 70722657) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID70722657
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H23F3N4O2/c1-4-25-10-14(24)22-5-7-23(8-6-22)15-20-12(11(2)3)9-13(21-15)16(17,18)19/h9,11H,4-8,10H2,1-3H3
InChIKeyXDPRHDXUYGKACX-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 70722657) is 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(c2nc(C(C)C)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is XDPRHDXUYGKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-4-25-10-14(24)22-5-7-23(8-6-22)15-20-12(11(2)3)9-13(21-15)16(17,18)19/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 360.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70722657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).