3-(2-piperazin-1-ylethyl)pyrimidin-4-one

C10H16N4O — CID 63769197

IUPAC3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCN1CCNCC1
InChIInChI=1S/C10H16N4O/c15-10-1-2-12-9-14(10)8-7-13-5-3-11-4-6-13/h1-2,9,11H,3-8H2
InChIKeyZJWIIDXKPZTEKO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.85
Rot. Bonds3

About 3-(2-piperazin-1-ylethyl)pyrimidin-4-one

3-(2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 63769197) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID63769197
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCN1CCNCC1
InChIInChI=1S/C10H16N4O/c15-10-1-2-12-9-14(10)8-7-13-5-3-11-4-6-13/h1-2,9,11H,3-8H2
InChIKeyZJWIIDXKPZTEKO-UHFFFAOYSA-N
XLogP-0.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-piperazin-1-ylethyl)pyrimidin-4-one (CID 63769197) is 3-(2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-piperazin-1-ylethyl)pyrimidin-4-one is O=c1ccncn1CCN1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is ZJWIIDXKPZTEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10-1-2-12-9-14(10)8-7-13-5-3-11-4-6-13/h1-2,9,11H,3-8H2.
What are the key properties of 3-(2-piperazin-1-ylethyl)pyrimidin-4-one?
3-(2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 63769197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).