1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C17H20FN5O2 — CID 154763216

IUPAC1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCN(c3cncc(F)c3)CC2)c(=O)n1
InChIInChI=1S/C17H20FN5O2/c1-12-7-13(2)23(17(25)20-12)11-16(24)22-5-3-21(4-6-22)15-8-14(18)9-19-10-15/h7-10H,3-6,11H2,1-2H3
InChIKeyAXYJENVZIUVCNL-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.74
Rot. Bonds3

About 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 154763216) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID154763216
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)N2CCN(c3cncc(F)c3)CC2)c(=O)n1
InChIInChI=1S/C17H20FN5O2/c1-12-7-13(2)23(17(25)20-12)11-16(24)22-5-3-21(4-6-22)15-8-14(18)9-19-10-15/h7-10H,3-6,11H2,1-2H3
InChIKeyAXYJENVZIUVCNL-UHFFFAOYSA-N
XLogP0.74
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one with MolForge

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Related Compounds

1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-(3-methylpyrrolidin-1-yl)ethanone
CID 138004925
2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 136537490
4,6-dimethyl-1-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]pyrimidin-2-one
CID 70711285
1-(5-fluoro-3-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 137468280
1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 136537775
8-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704956
1-[2-[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 165418526
(2R)-2-amino-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-3-hydroxypropan-1-one
CID 166299019
2-(6-ethoxy-2-pyridinyl)-1-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]ethanone
CID 138004927
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 3573553
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91771971
1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 154763216) is 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)N2CCN(c3cncc(F)c3)CC2)c(=O)n1.
What is the InChIKey of 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is AXYJENVZIUVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12-7-13(2)23(17(25)20-12)11-16(24)22-5-3-21(4-6-22)15-8-14(18)9-19-10-15/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 345.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 154763216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).