2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one

C19H26N4O2 — CID 666885

IUPAC2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O2/c1-2-3-9-16-17(24)20-19(21-18(16)25)23-12-10-22(11-13-23)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H2,20,21,24,25)
InChIKeyXHEUQGXEZXLWRD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one

2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 666885) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID666885
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
InChIInChI=1S/C19H26N4O2/c1-2-3-9-16-17(24)20-19(21-18(16)25)23-12-10-22(11-13-23)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H2,20,21,24,25)
InChIKeyXHEUQGXEZXLWRD-UHFFFAOYSA-N
XLogP2.14
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one (CID 666885) is 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one is CCCCc1c(O)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XHEUQGXEZXLWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-9-16-17(24)20-19(21-18(16)25)23-12-10-22(11-13-23)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H2,20,21,24,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one?
2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 342.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 666885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).