5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one

C11H17FN4O2 — CID 80550863

IUPAC5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H17FN4O2/c1-2-7(16-5-3-13-4-6-16)9-14-10(17)8(12)11(18)15-9/h7,13H,2-6H2,1H3,(H2,14,15,17,18)
InChIKeyVNLAYQRYSSYYLM-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.03
Rot. Bonds3

About 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (PubChem CID 80550863) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
PubChem CID80550863
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H17FN4O2/c1-2-7(16-5-3-13-4-6-16)9-14-10(17)8(12)11(18)15-9/h7,13H,2-6H2,1H3,(H2,14,15,17,18)
InChIKeyVNLAYQRYSSYYLM-UHFFFAOYSA-N
XLogP-0.03
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (CID 80550863) is 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is CCC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The InChIKey is VNLAYQRYSSYYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-2-7(16-5-3-13-4-6-16)9-14-10(17)8(12)11(18)15-9/h7,13H,2-6H2,1H3,(H2,14,15,17,18).
What are the key properties of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one has a molecular weight of 256.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80550863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).