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

C18H21FN4O2 — CID 24715351

IUPAC1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-3-18(24)23-8-6-22(7-9-23)16-11-17(21-12-20-16)25-15-10-13(2)4-5-14(15)19/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyHGLATCGGBWODNJ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.78
Rot. Bonds4

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

1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 24715351) 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]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID24715351
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3F)ncn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-3-18(24)23-8-6-22(7-9-23)16-11-17(21-12-20-16)25-15-10-13(2)4-5-14(15)19/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyHGLATCGGBWODNJ-UHFFFAOYSA-N
XLogP2.78
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.78
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]propan-1-one?
The IUPAC name of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 24715351) is 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is HGLATCGGBWODNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-3-18(24)23-8-6-22(7-9-23)16-11-17(21-12-20-16)25-15-10-13(2)4-5-14(15)19/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 344.39 g/mol, XLogP of 2.78, 4 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]propan-1-one is sourced from PubChem (CID 24715351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).