2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one

C11H18N4O — CID 63362944

IUPAC2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(c1nccc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-11(2,15-7-5-12-6-8-15)10-13-4-3-9(16)14-10/h3-4,12H,5-8H2,1-2H3,(H,13,14,16)
InChIKeyPBXNUMGQQIHWGD-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.09
Rot. Bonds2

About 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one

2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 63362944) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
PubChem CID63362944
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(c1nccc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-11(2,15-7-5-12-6-8-15)10-13-4-3-9(16)14-10/h3-4,12H,5-8H2,1-2H3,(H,13,14,16)
InChIKeyPBXNUMGQQIHWGD-UHFFFAOYSA-N
XLogP-0.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one (CID 63362944) is 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is CC(C)(c1nccc(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is PBXNUMGQQIHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,15-7-5-12-6-8-15)10-13-4-3-9(16)14-10/h3-4,12H,5-8H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one?
2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).