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

C13H22N4O2 — CID 55221567

IUPAC5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-9-12(18)15-11(16-13(9)19)10(4-2)17-7-5-14-6-8-17/h10,14H,3-8H2,1-2H3,(H2,15,16,18,19)
InChIKeyCMKHGTPKVCFTQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.39
Rot. Bonds4

About 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (PubChem CID 55221567) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
PubChem CID55221567
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-9-12(18)15-11(16-13(9)19)10(4-2)17-7-5-14-6-8-17/h10,14H,3-8H2,1-2H3,(H2,15,16,18,19)
InChIKeyCMKHGTPKVCFTQP-UHFFFAOYSA-N
XLogP0.39
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one (CID 55221567) is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C(CC)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
The InChIKey is CMKHGTPKVCFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-9-12(18)15-11(16-13(9)19)10(4-2)17-7-5-14-6-8-17/h10,14H,3-8H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55221567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).