2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

C20H25FN4O2 — CID 66747808

IUPAC2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(C)COc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C20H25FN4O2/c1-15(2)13-27-19-12-18(22-14-23-19)24-7-9-25(10-8-24)20(26)11-16-3-5-17(21)6-4-16/h3-6,12,14-15H,7-11,13H2,1-2H3
InChIKeyAHBHKRHLMXAQNN-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 66747808) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID66747808
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(C)COc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C20H25FN4O2/c1-15(2)13-27-19-12-18(22-14-23-19)24-7-9-25(10-8-24)20(26)11-16-3-5-17(21)6-4-16/h3-6,12,14-15H,7-11,13H2,1-2H3
InChIKeyAHBHKRHLMXAQNN-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 66747808) is 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(C)COc1cc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is AHBHKRHLMXAQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-15(2)13-27-19-12-18(22-14-23-19)24-7-9-25(10-8-24)20(26)11-16-3-5-17(21)6-4-16/h3-6,12,14-15H,7-11,13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 372.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66747808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).