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

C11H18N4O2 — CID 55221351

IUPAC5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CN2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-8-10(16)13-9(14-11(8)17)7-15-5-3-12-4-6-15/h12H,2-7H2,1H3,(H2,13,14,16,17)
InChIKeyCBKHBDRPSFGVJL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.56
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 55221351) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID55221351
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CN2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-8-10(16)13-9(14-11(8)17)7-15-5-3-12-4-6-15/h12H,2-7H2,1H3,(H2,13,14,16,17)
InChIKeyCBKHBDRPSFGVJL-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
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-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 55221351) is 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(CN2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is CBKHBDRPSFGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-10(16)13-9(14-11(8)17)7-15-5-3-12-4-6-15/h12H,2-7H2,1H3,(H2,13,14,16,17).
What are the key properties of 5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.56, 3 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-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 55221351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).