4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one

C12H16N4O2 — CID 118196920

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one
SMILESO=C1CC(N2CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C12H16N4O2/c17-11-8-10(9-18-11)15-4-6-16(7-5-15)12-13-2-1-3-14-12/h1-3,10H,4-9H2
InChIKeyKKICBKJYPJOMLC-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.09
Rot. Bonds2

About 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one

4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one (PubChem CID 118196920) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one
PubChem CID118196920
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one
SMILESO=C1CC(N2CCN(c3ncccn3)CC2)CO1
InChIInChI=1S/C12H16N4O2/c17-11-8-10(9-18-11)15-4-6-16(7-5-15)12-13-2-1-3-14-12/h1-3,10H,4-9H2
InChIKeyKKICBKJYPJOMLC-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one (CID 118196920) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one is O=C1CC(N2CCN(c3ncccn3)CC2)CO1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one?
The InChIKey is KKICBKJYPJOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-11-8-10(9-18-11)15-4-6-16(7-5-15)12-13-2-1-3-14-12/h1-3,10H,4-9H2.
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one?
4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one has a molecular weight of 248.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 118196920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).