5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C11H18N4O2 — CID 57102753

IUPAC5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeySJKUALSRXMZPOF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.16
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 57102753) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID57102753
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-3-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17)
InChIKeySJKUALSRXMZPOF-UHFFFAOYSA-N
XLogP-0.16
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydroxy-2-piperidino-4(3H)-pyrimidinone
CID 1859878
5-Ethyl-6-methyl-2-piperazin-1-yl-pyrimidin-4-ol
CID 136103247
4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 56976156
4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 150222005
5-ethyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 173528231
5-ethyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1832032
5-butyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1970072
4-hydroxy-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13636851
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
5-ethyl-4-hydroxy-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 55221351
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221567
5-ethyl-4-hydroxy-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63553572

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 57102753) is 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(N2CCNCC2C)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is SJKUALSRXMZPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8-9(16)13-11(14-10(8)17)15-5-4-12-6-7(15)2/h7,12H,3-6H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57102753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).