5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

C11H16N4O2 — CID 110850036

IUPAC5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C11H16N4O2/c1-2-14-3-5-15(6-4-14)11(17)9-7-12-8-13-10(9)16/h7-8H,2-6H2,1H3,(H,12,13,16)
InChIKeyGRVJUWNSSDQENN-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.45
Rot. Bonds2

About 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one

5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110850036) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110850036
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCN1CCN(C(=O)c2cnc[nH]c2=O)CC1
InChIInChI=1S/C11H16N4O2/c1-2-14-3-5-15(6-4-14)11(17)9-7-12-8-13-10(9)16/h7-8H,2-6H2,1H3,(H,12,13,16)
InChIKeyGRVJUWNSSDQENN-UHFFFAOYSA-N
XLogP-0.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
2-amino-N-[2-(dimethylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 251395
3-(3-Oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 55237815
5-Iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66309077
2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 110850036) is 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is CCN1CCN(C(=O)c2cnc[nH]c2=O)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is GRVJUWNSSDQENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-14-3-5-15(6-4-14)11(17)9-7-12-8-13-10(9)16/h7-8H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one?
5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110850036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).