4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136989767

IUPAC4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CNCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H18N4O2/c1-3-8-6-12-4-5-15(8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyOEFGOMBSEQXRKE-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.03
Rot. Bonds3

About 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989767) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989767
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CNCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H18N4O2/c1-3-8-6-12-4-5-15(8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyOEFGOMBSEQXRKE-UHFFFAOYSA-N
XLogP-0.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008133
5-chloro-4-(2-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008146
4-(2,5-diethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136978340
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136726439
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
1-(2-ethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106542352
4-(2-ethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
CID 66327162
1-(2-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 106542356
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008211
4-[2-[(tert-butylamino)methyl]piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007961
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009463
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136989767) is 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is CCC1CNCCN1c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OEFGOMBSEQXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8-6-12-4-5-15(8)10-9(17-2)11(16)14-7-13-10/h7-8,12H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperazin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).