4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one

C11H15FN4O2 — CID 75482849

IUPAC4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2ncc(F)cn2)CC1=O
InChIInChI=1S/C11H15FN4O2/c1-18-5-4-15-2-3-16(8-10(15)17)11-13-6-9(12)7-14-11/h6-7H,2-5,8H2,1H3
InChIKeyUUNUSUCPUBZTPN-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.09
Rot. Bonds4

About 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one

4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 75482849) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one
PubChem CID75482849
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(c2ncc(F)cn2)CC1=O
InChIInChI=1S/C11H15FN4O2/c1-18-5-4-15-2-3-16(8-10(15)17)11-13-6-9(12)7-14-11/h6-7H,2-5,8H2,1H3
InChIKeyUUNUSUCPUBZTPN-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one (CID 75482849) is 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(c2ncc(F)cn2)CC1=O.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is UUNUSUCPUBZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-18-5-4-15-2-3-16(8-10(15)17)11-13-6-9(12)7-14-11/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one?
4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 254.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 75482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).