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

C10H15FN4O2 — CID 80550837

IUPAC5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6,12H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyXOBMLNBKBMDLPG-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.42
Rot. Bonds2

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

5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 80550837) has the molecular formula C10H15FN4O2 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID80550837
Molecular FormulaC10H15FN4O2
Molecular Weight242.25 g/mol
Exact Mass242.12
IUPAC Name5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6,12H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyXOBMLNBKBMDLPG-UHFFFAOYSA-N
XLogP-0.42
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.42
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-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (CID 80550837) is 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is CC(c1nc(O)c(F)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is XOBMLNBKBMDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O2/c1-6(15-4-2-12-3-5-15)8-13-9(16)7(11)10(17)14-8/h6,12H,2-5H2,1H3,(H2,13,14,16,17).
What are the key properties of 5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 242.25 g/mol, XLogP of -0.42, 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-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80550837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).