3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one

C11H18N4O — CID 83890794

IUPAC3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCC(c1cncn(C)c1=O)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-9(15-5-3-12-4-6-15)10-7-13-8-14(2)11(10)16/h7-9,12H,3-6H2,1-2H3
InChIKeyPDZDEHLJTSWKJO-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.25
Rot. Bonds2

About 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one

3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 83890794) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID83890794
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
SMILESCC(c1cncn(C)c1=O)N1CCNCC1
InChIInChI=1S/C11H18N4O/c1-9(15-5-3-12-4-6-15)10-7-13-8-14(2)11(10)16/h7-9,12H,3-6H2,1-2H3
InChIKeyPDZDEHLJTSWKJO-UHFFFAOYSA-N
XLogP-0.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)piperazine-1-carboxylate
CID 169083058
5-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 172329324
5-ethyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 173528231
5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 176568630
5-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl}pyrimidin-4(3H)-one
CID 77078543
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(1-aminoethyl)-1H-pyrimidin-6-one
CID 82651163
5-(2-aminoethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 83852657
5-[2-(Methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
CID 83879434
3-Methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83883911
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531
2,3-Dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83890793

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one (CID 83890794) is 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one is CC(c1cncn(C)c1=O)N1CCNCC1.
What is the InChIKey of 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is PDZDEHLJTSWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(15-5-3-12-4-6-15)10-7-13-8-14(2)11(10)16/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one?
3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 83890794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).