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

C11H18N4O3 — CID 24845099

IUPAC5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-3-18-8-9(16)12-11(13-10(8)17)15-6-4-14(2)5-7-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyBCWQPJADDKKOCL-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.37
Rot. Bonds3

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

5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 24845099) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID24845099
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCOc1c(O)nc(N2CCN(C)CC2)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-3-18-8-9(16)12-11(13-10(8)17)15-6-4-14(2)5-7-15/h3-7H2,1-2H3,(H2,12,13,16,17)
InChIKeyBCWQPJADDKKOCL-UHFFFAOYSA-N
XLogP-0.37
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 24845099) is 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCOc1c(O)nc(N2CCN(C)CC2)[nH]c1=O.
What is the InChIKey of 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is BCWQPJADDKKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-18-8-9(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-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 24845099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).