3-pyrrolidin-3-ylpyrimidin-4-one

C8H11N3O — CID 126857518

IUPAC3-pyrrolidin-3-ylpyrimidin-4-one
SMILESO=c1ccncn1C1CCNC1
InChIInChI=1S/C8H11N3O/c12-8-2-4-10-6-11(8)7-1-3-9-5-7/h2,4,6-7,9H,1,3,5H2
InChIKeySSGPMAOQOIEDJM-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.22
Rot. Bonds1

About 3-pyrrolidin-3-ylpyrimidin-4-one

3-pyrrolidin-3-ylpyrimidin-4-one (PubChem CID 126857518) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-pyrrolidin-3-ylpyrimidin-4-one
PubChem CID126857518
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-pyrrolidin-3-ylpyrimidin-4-one
SMILESO=c1ccncn1C1CCNC1
InChIInChI=1S/C8H11N3O/c12-8-2-4-10-6-11(8)7-1-3-9-5-7/h2,4,6-7,9H,1,3,5H2
InChIKeySSGPMAOQOIEDJM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylpyrimidin-4-one?
The IUPAC name of 3-pyrrolidin-3-ylpyrimidin-4-one (CID 126857518) is 3-pyrrolidin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-pyrrolidin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-pyrrolidin-3-ylpyrimidin-4-one is O=c1ccncn1C1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylpyrimidin-4-one?
The InChIKey is SSGPMAOQOIEDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-2-4-10-6-11(8)7-1-3-9-5-7/h2,4,6-7,9H,1,3,5H2.
What are the key properties of 3-pyrrolidin-3-ylpyrimidin-4-one?
3-pyrrolidin-3-ylpyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126857518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).