4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 55221568

IUPAC4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-2-8(15-5-3-12-4-6-15)11-13-9(16)7-10(17)14-11/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyLIXCPEIJTJUYRM-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.17
Rot. Bonds3

About 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (PubChem CID 55221568) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
PubChem CID55221568
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-2-8(15-5-3-12-4-6-15)11-13-9(16)7-10(17)14-11/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyLIXCPEIJTJUYRM-UHFFFAOYSA-N
XLogP-0.17
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (CID 55221568) is 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is CCC(c1nc(O)cc(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The InChIKey is LIXCPEIJTJUYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8(15-5-3-12-4-6-15)11-13-9(16)7-10(17)14-11/h7-8,12H,2-6H2,1H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55221568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).