2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

C16H28N4O — CID 135644924

IUPAC2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)c(CCC(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H28N4O/c1-5-19-8-10-20(11-9-19)16-17-13(4)14(15(21)18-16)7-6-12(2)3/h12H,5-11H2,1-4H3,(H,17,18,21)
InChIKeyACHOSXWMGHKUFZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one

2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (PubChem CID 135644924) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
PubChem CID135644924
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)c(CCC(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H28N4O/c1-5-19-8-10-20(11-9-19)16-17-13(4)14(15(21)18-16)7-6-12(2)3/h12H,5-11H2,1-4H3,(H,17,18,21)
InChIKeyACHOSXWMGHKUFZ-UHFFFAOYSA-N
XLogP1.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one (CID 135644924) is 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is CCN1CCN(c2nc(C)c(CCC(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
The InChIKey is ACHOSXWMGHKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-19-8-10-20(11-9-19)16-17-13(4)14(15(21)18-16)7-6-12(2)3/h12H,5-11H2,1-4H3,(H,17,18,21).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).