1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C17H18F2N4O2 — CID 24715591

IUPAC1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1
InChIInChI=1S/C17H18F2N4O2/c1-2-17(24)23-7-5-22(6-8-23)15-10-16(21-11-20-15)25-12-3-4-13(18)14(19)9-12/h3-4,9-11H,2,5-8H2,1H3
InChIKeyZOMHCOWFLXOSLG-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.61
Rot. Bonds4

About 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 24715591) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID24715591
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1
InChIInChI=1S/C17H18F2N4O2/c1-2-17(24)23-7-5-22(6-8-23)15-10-16(21-11-20-15)25-12-3-4-13(18)14(19)9-12/h3-4,9-11H,2,5-8H2,1H3
InChIKeyZOMHCOWFLXOSLG-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42806325
4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716048
2-[4-[6-(3-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 83289948
1-[4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one
CID 83281711
(3S)-1-[(2S)-4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3,5,5-trimethylhexan-1-one
CID 93296691
2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
[4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 83285223
1-[4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 24715350
(3-chlorophenyl)-[(2R)-4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
CID 93296822
1-[4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 83287810
3-chloro-1-[4-[6-(4-chloro-2-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 83279848
1-[(2R)-4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]propan-1-one
CID 93296568

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 24715591) is 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ZOMHCOWFLXOSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-2-17(24)23-7-5-22(6-8-23)15-10-16(21-11-20-15)25-12-3-4-13(18)14(19)9-12/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 348.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,4-difluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24715591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).