5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

C14H24N4O2 — CID 63554825

IUPAC5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)c(CC)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20)
InChIKeyMHNDWVRSDXXYST-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.78
Rot. Bonds5

About 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (PubChem CID 63554825) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
PubChem CID63554825
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
SMILESCCCC(c1nc(O)c(CC)c(=O)[nH]1)N1CCNCC1
InChIInChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20)
InChIKeyMHNDWVRSDXXYST-UHFFFAOYSA-N
XLogP0.78
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.78
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-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one (CID 63554825) is 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is CCCC(c1nc(O)c(CC)c(=O)[nH]1)N1CCNCC1.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
The InChIKey is MHNDWVRSDXXYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-11(18-8-6-15-7-9-18)12-16-13(19)10(4-2)14(20)17-12/h11,15H,3-9H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 0.78, 5 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-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).