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

C11H17FN4O2 — CID 80550982

IUPAC5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H17FN4O2/c1-11(2,16-5-3-13-4-6-16)10-14-8(17)7(12)9(18)15-10/h13H,3-6H2,1-2H3,(H2,14,15,17,18)
InChIKeyOTDUNUFRXJHTRG-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.25
Rot. Bonds2

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

5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80550982) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
PubChem CID80550982
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H17FN4O2/c1-11(2,16-5-3-13-4-6-16)10-14-8(17)7(12)9(18)15-10/h13H,3-6H2,1-2H3,(H2,14,15,17,18)
InChIKeyOTDUNUFRXJHTRG-UHFFFAOYSA-N
XLogP-0.25
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (CID 80550982) is 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is CC(C)(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is OTDUNUFRXJHTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-11(2,16-5-3-13-4-6-16)10-14-8(17)7(12)9(18)15-10/h13H,3-6H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 256.28 g/mol, XLogP of -0.25, 2 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-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80550982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).