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

C13H22N4O2 — CID 135644926

IUPAC2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)c(CCO)c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-3-16-5-7-17(8-6-16)13-14-10(2)11(4-9-18)12(19)15-13/h18H,3-9H2,1-2H3,(H,14,15,19)
InChIKeyQSYFPMMORPORPL-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.24
Rot. Bonds4

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

2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135644926) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135644926
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc(C)c(CCO)c(=O)[nH]2)CC1
InChIInChI=1S/C13H22N4O2/c1-3-16-5-7-17(8-6-16)13-14-10(2)11(4-9-18)12(19)15-13/h18H,3-9H2,1-2H3,(H,14,15,19)
InChIKeyQSYFPMMORPORPL-UHFFFAOYSA-N
XLogP-0.24
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 135644926) is 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is CCN1CCN(c2nc(C)c(CCO)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QSYFPMMORPORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-16-5-7-17(8-6-16)13-14-10(2)11(4-9-18)12(19)15-13/h18H,3-9H2,1-2H3,(H,14,15,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135644926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).