1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one

C13H11FN4O3 — CID 134161622

IUPAC1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one
SMILESO=C(c1ccco1)N1CCN(c2ncc(F)cn2)C(=O)C1
InChIInChI=1S/C13H11FN4O3/c14-9-6-15-13(16-7-9)18-4-3-17(8-11(18)19)12(20)10-2-1-5-21-10/h1-2,5-7H,3-4,8H2
InChIKeyTZAZSJXFNKHJGR-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.70
Rot. Bonds2

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

1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one (PubChem CID 134161622) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one
PubChem CID134161622
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one
SMILESO=C(c1ccco1)N1CCN(c2ncc(F)cn2)C(=O)C1
InChIInChI=1S/C13H11FN4O3/c14-9-6-15-13(16-7-9)18-4-3-17(8-11(18)19)12(20)10-2-1-5-21-10/h1-2,5-7H,3-4,8H2
InChIKeyTZAZSJXFNKHJGR-UHFFFAOYSA-N
XLogP0.70
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one (CID 134161622) is 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one is O=C(c1ccco1)N1CCN(c2ncc(F)cn2)C(=O)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one?
The InChIKey is TZAZSJXFNKHJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-9-6-15-13(16-7-9)18-4-3-17(8-11(18)19)12(20)10-2-1-5-21-10/h1-2,5-7H,3-4,8H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one?
1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one has a molecular weight of 290.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-4-(furan-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 134161622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).