2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C11H18N4O — CID 82509438

IUPAC2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-2-10-13-7-9(11(16)14-10)8-15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyUGDNPKGKEZWXEJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.26
Rot. Bonds3

About 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82509438) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82509438
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCCc1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-2-10-13-7-9(11(16)14-10)8-15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyUGDNPKGKEZWXEJ-UHFFFAOYSA-N
XLogP-0.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
5-Bromo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66308580
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
CID 66489661
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-(2-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 82470560
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82509438) is 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is CCc1ncc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is UGDNPKGKEZWXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-10-13-7-9(11(16)14-10)8-15-5-3-12-4-6-15/h7,12H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82509438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).