5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

C9H12FN3O2 — CID 80550884

IUPAC5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCNC2)nc(O)c1F
InChIInChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-2-1-3-11-4-5/h5,11H,1-4H2,(H2,12,13,14,15)
InChIKeyWKHYIXOGQUATPM-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.08
Rot. Bonds1

About 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one

5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (PubChem CID 80550884) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
PubChem CID80550884
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCNC2)nc(O)c1F
InChIInChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-2-1-3-11-4-5/h5,11H,1-4H2,(H2,12,13,14,15)
InChIKeyWKHYIXOGQUATPM-UHFFFAOYSA-N
XLogP0.08
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one (CID 80550884) is 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCNC2)nc(O)c1F.
What is the InChIKey of 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
The InChIKey is WKHYIXOGQUATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-6-8(14)12-7(13-9(6)15)5-2-1-3-11-4-5/h5,11H,1-4H2,(H2,12,13,14,15).
What are the key properties of 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one?
5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one has a molecular weight of 213.21 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 80550884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).