1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

C17H19FN4O2 — CID 24715352

IUPAC1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-12-3-4-14(18)15(9-12)24-17-10-16(19-11-20-17)22-7-5-21(6-8-22)13(2)23/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXZPPHMKJAVONTM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.38
Rot. Bonds3

About 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 24715352) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID24715352
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-12-3-4-14(18)15(9-12)24-17-10-16(19-11-20-17)22-7-5-21(6-8-22)13(2)23/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXZPPHMKJAVONTM-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 24715352) is 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is XZPPHMKJAVONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-3-4-14(18)15(9-12)24-17-10-16(19-11-20-17)22-7-5-21(6-8-22)13(2)23/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 330.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 24715352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).