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

C9H13FN4O2 — CID 80550816

IUPAC5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CN2CCNCC2)nc(O)c1F
InChIInChI=1S/C9H13FN4O2/c10-7-8(15)12-6(13-9(7)16)5-14-3-1-11-2-4-14/h11H,1-5H2,(H2,12,13,15,16)
InChIKeyMDCRFNMIOBGYKL-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.98
Rot. Bonds2

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

5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 80550816) has the molecular formula C9H13FN4O2 and a molecular weight of 228.23 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID80550816
Molecular FormulaC9H13FN4O2
Molecular Weight228.23 g/mol
Exact Mass228.10
IUPAC Name5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CN2CCNCC2)nc(O)c1F
InChIInChI=1S/C9H13FN4O2/c10-7-8(15)12-6(13-9(7)16)5-14-3-1-11-2-4-14/h11H,1-5H2,(H2,12,13,15,16)
InChIKeyMDCRFNMIOBGYKL-UHFFFAOYSA-N
XLogP-0.98
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.98
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-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 80550816) is 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(CN2CCNCC2)nc(O)c1F.
What is the InChIKey of 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MDCRFNMIOBGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O2/c10-7-8(15)12-6(13-9(7)16)5-14-3-1-11-2-4-14/h11H,1-5H2,(H2,12,13,15,16).
What are the key properties of 5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 228.23 g/mol, XLogP of -0.98, 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-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80550816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).