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

C11H18N4O — CID 135536917

IUPAC2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O/c1-3-14-4-6-15(7-5-14)11-12-9(2)8-10(16)13-11/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyCXFVMBXMXSCDLM-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.22
Rot. Bonds2

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

2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135536917) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135536917
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H18N4O/c1-3-14-4-6-15(7-5-14)11-12-9(2)8-10(16)13-11/h8H,3-7H2,1-2H3,(H,12,13,16)
InChIKeyCXFVMBXMXSCDLM-UHFFFAOYSA-N
XLogP0.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.22
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-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135536917) is 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one is CCN1CCN(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CXFVMBXMXSCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-14-4-6-15(7-5-14)11-12-9(2)8-10(16)13-11/h8H,3-7H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.22, 2 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-1H-pyrimidin-6-one is sourced from PubChem (CID 135536917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).