1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C24H25FN4O2 — CID 56554199

IUPAC1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-24(2,18-6-4-3-5-7-18)22(30)28-14-16-29(17-15-28)23-26-13-12-21(27-23)31-20-10-8-19(25)9-11-20/h3-13H,14-17H2,1-2H3
InChIKeyYTPVKJXETUPYRE-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 56554199) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID56554199
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-24(2,18-6-4-3-5-7-18)22(30)28-14-16-29(17-15-28)23-26-13-12-21(27-23)31-20-10-8-19(25)9-11-20/h3-13H,14-17H2,1-2H3
InChIKeyYTPVKJXETUPYRE-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 56554199) is 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(c2nccc(Oc3ccc(F)cc3)n2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is YTPVKJXETUPYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-24(2,18-6-4-3-5-7-18)22(30)28-14-16-29(17-15-28)23-26-13-12-21(27-23)31-20-10-8-19(25)9-11-20/h3-13H,14-17H2,1-2H3.
What are the key properties of 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 420.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 56554199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).