4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 63554115

IUPAC4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-10(16)13-9(14-11(7)17)8(2)15-5-3-12-4-6-15/h8,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyWPHPBLILNQYQBH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.25
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 63554115) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID63554115
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-10(16)13-9(14-11(7)17)8(2)15-5-3-12-4-6-15/h8,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeyWPHPBLILNQYQBH-UHFFFAOYSA-N
XLogP-0.25
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one (CID 63554115) is 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(C(C)N2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is WPHPBLILNQYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-10(16)13-9(14-11(7)17)8(2)15-5-3-12-4-6-15/h8,12H,3-6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63554115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).