6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one

C13H14FN5O — CID 171326725

IUPAC6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(c3ncc(F)cn3)CC2)[nH]1
InChIInChI=1S/C13H14FN5O/c14-10-8-15-13(16-9-10)19-6-4-18(5-7-19)11-2-1-3-12(20)17-11/h1-3,8-9H,4-7H2,(H,17,20)
InChIKeyUUWXBJKJZBTTRV-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.63
Rot. Bonds2

About 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one

6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one (PubChem CID 171326725) has the molecular formula C13H14FN5O and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one
PubChem CID171326725
Molecular FormulaC13H14FN5O
Molecular Weight275.29 g/mol
Exact Mass275.12
IUPAC Name6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one
SMILESO=c1cccc(N2CCN(c3ncc(F)cn3)CC2)[nH]1
InChIInChI=1S/C13H14FN5O/c14-10-8-15-13(16-9-10)19-6-4-18(5-7-19)11-2-1-3-12(20)17-11/h1-3,8-9H,4-7H2,(H,17,20)
InChIKeyUUWXBJKJZBTTRV-UHFFFAOYSA-N
XLogP0.63
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one (CID 171326725) is 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one is O=c1cccc(N2CCN(c3ncc(F)cn3)CC2)[nH]1.
What is the InChIKey of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one?
The InChIKey is UUWXBJKJZBTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O/c14-10-8-15-13(16-9-10)19-6-4-18(5-7-19)11-2-1-3-12(20)17-11/h1-3,8-9H,4-7H2,(H,17,20).
What are the key properties of 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one?
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one has a molecular weight of 275.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171326725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).