5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C13H22N4O2 — CID 135587524

IUPAC5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CCO)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-11-10(2)14-13(15-12(11)19)17-6-4-16(5-7-17)8-9-18/h18H,3-9H2,1-2H3,(H,14,15,19)
InChIKeyIIPGODKQENQOMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.24
Rot. Bonds4

About 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135587524) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135587524
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(N2CCN(CCO)CC2)[nH]c1=O
InChIInChI=1S/C13H22N4O2/c1-3-11-10(2)14-13(15-12(11)19)17-6-4-16(5-7-17)8-9-18/h18H,3-9H2,1-2H3,(H,14,15,19)
InChIKeyIIPGODKQENQOMW-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 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135587524) is 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(N2CCN(CCO)CC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is IIPGODKQENQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-11-10(2)14-13(15-12(11)19)17-6-4-16(5-7-17)8-9-18/h18H,3-9H2,1-2H3,(H,14,15,19).
What are the key properties of 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-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 5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135587524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).