5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 24845080

IUPAC5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-8-9(16)12-11(13-10(8)17)15-6-4-14(2)5-7-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyFKSKEWLSRUDFFN-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.21
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 24845080) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID24845080
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-8-9(16)12-11(13-10(8)17)15-6-4-14(2)5-7-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyFKSKEWLSRUDFFN-UHFFFAOYSA-N
XLogP-0.21
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 24845080) is 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is FKSKEWLSRUDFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8-9(16)12-11(13-10(8)17)15-6-4-14(2)5-7-15/h3-7H2,1-2H3,(H2,12,13,16,17).
What are the key properties of 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 24845080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).