5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one

C10H16N4O2 — CID 63555709

IUPAC5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyROPKKUVWSVSQOU-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.55
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 63555709) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID63555709
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyROPKKUVWSVSQOU-UHFFFAOYSA-N
XLogP-0.55
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.55
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-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 63555709) is 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one is CCc1c(O)nc(N2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is ROPKKUVWSVSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-7-8(15)12-10(13-9(7)16)14-5-3-11-4-6-14/h11H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.55, 2 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-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).