3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one

C8H11N3O2 — CID 126857511

IUPAC3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one
SMILESO=c1ccncn1C1CNCC1O
InChIInChI=1S/C8H11N3O2/c12-7-4-10-3-6(7)11-5-9-2-1-8(11)13/h1-2,5-7,10,12H,3-4H2
InChIKeyIPYFQOXZEGYTFE-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.25
Rot. Bonds1

About 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one

3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 126857511) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one
PubChem CID126857511
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one
SMILESO=c1ccncn1C1CNCC1O
InChIInChI=1S/C8H11N3O2/c12-7-4-10-3-6(7)11-5-9-2-1-8(11)13/h1-2,5-7,10,12H,3-4H2
InChIKeyIPYFQOXZEGYTFE-UHFFFAOYSA-N
XLogP-1.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one (CID 126857511) is 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one is O=c1ccncn1C1CNCC1O.
What is the InChIKey of 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is IPYFQOXZEGYTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-7-4-10-3-6(7)11-5-9-2-1-8(11)13/h1-2,5-7,10,12H,3-4H2.
What are the key properties of 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one?
3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 181.19 g/mol, XLogP of -1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 126857511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).