5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H19N3O2 — CID 112569358

IUPAC5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18)
InChIKeyJBYQBRNMMNSPLT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds2

About 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 112569358) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID112569358
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1
InChIInChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18)
InChIKeyJBYQBRNMMNSPLT-UHFFFAOYSA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 112569358) is 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCC2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is JBYQBRNMMNSPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-10(9-5-1-2-6-9)12(18)15-13(14-11)16-7-3-4-8-16/h9H,1-8H2,(H2,14,15,17,18).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 112569358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).