3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one

C13H18N6O — CID 118772854

IUPAC3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6O/c20-13-16-4-5-19(13)11-8-17-6-9-18(10-7-17)12-14-2-1-3-15-12/h1-5H,6-11H2,(H,16,20)
InChIKeyPDHGNTSXNJZTCO-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.21
Rot. Bonds4

About 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one

3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one (PubChem CID 118772854) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one
PubChem CID118772854
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6O/c20-13-16-4-5-19(13)11-8-17-6-9-18(10-7-17)12-14-2-1-3-15-12/h1-5H,6-11H2,(H,16,20)
InChIKeyPDHGNTSXNJZTCO-UHFFFAOYSA-N
XLogP-0.21
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one (CID 118772854) is 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one?
The InChIKey is PDHGNTSXNJZTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c20-13-16-4-5-19(13)11-8-17-6-9-18(10-7-17)12-14-2-1-3-15-12/h1-5H,6-11H2,(H,16,20).
What are the key properties of 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one?
3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one has a molecular weight of 274.33 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 118772854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).