2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

C11H13F3N4O — CID 108755267

IUPAC2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H13F3N4O/c1-8-6-9(16-7-15-8)17-2-4-18(5-3-17)10(19)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyUXUQRWGFFQNYPE-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.00
Rot. Bonds1

About 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 108755267) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID108755267
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCc1cc(N2CCN(C(=O)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H13F3N4O/c1-8-6-9(16-7-15-8)17-2-4-18(5-3-17)10(19)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyUXUQRWGFFQNYPE-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 108755267) is 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is Cc1cc(N2CCN(C(=O)C(F)(F)F)CC2)ncn1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is UXUQRWGFFQNYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-8-6-9(16-7-15-8)17-2-4-18(5-3-17)10(19)11(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 274.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108755267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).