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

C18H21FN4O2 — CID 24715596

IUPAC1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1C
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-15(19)16(8-12)25-18-9-17(20-11-21-18)22-6-7-23(14(3)24)13(2)10-22/h4-5,8-9,11,13H,6-7,10H2,1-3H3
InChIKeyGYKYOPZDOCVVJC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.77
Rot. Bonds3

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

1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 24715596) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
PubChem CID24715596
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1C
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-15(19)16(8-12)25-18-9-17(20-11-21-18)22-6-7-23(14(3)24)13(2)10-22/h4-5,8-9,11,13H,6-7,10H2,1-3H3
InChIKeyGYKYOPZDOCVVJC-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.77
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]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone (CID 24715596) is 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1C.
What is the InChIKey of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is GYKYOPZDOCVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-4-5-15(19)16(8-12)25-18-9-17(20-11-21-18)22-6-7-23(14(3)24)13(2)10-22/h4-5,8-9,11,13H,6-7,10H2,1-3H3.
What are the key properties of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone?
1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 344.39 g/mol, XLogP of 2.77, 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]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 24715596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).