4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one

C9H10N2O3 — CID 86708082

IUPAC4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one
SMILESO=C1CCCC1c1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O3/c12-6-3-1-2-5(6)7-8(13)10-4-11-9(7)14/h4-5H,1-3H2,(H2,10,11,13,14)
InChIKeyFNGUDOGKLZAGND-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.31
Rot. Bonds1

About 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one

4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one (PubChem CID 86708082) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one
PubChem CID86708082
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one
SMILESO=C1CCCC1c1c(O)nc[nH]c1=O
InChIInChI=1S/C9H10N2O3/c12-6-3-1-2-5(6)7-8(13)10-4-11-9(7)14/h4-5H,1-3H2,(H2,10,11,13,14)
InChIKeyFNGUDOGKLZAGND-UHFFFAOYSA-N
XLogP0.31
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one (CID 86708082) is 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one is O=C1CCCC1c1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is FNGUDOGKLZAGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-6-3-1-2-5(6)7-8(13)10-4-11-9(7)14/h4-5H,1-3H2,(H2,10,11,13,14).
What are the key properties of 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 194.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-oxocyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 86708082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).