2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O2 — CID 135571625

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19)
InChIKeyOWMRILPNYSVFLK-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.01
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135571625) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135571625
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(CCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19)
InChIKeyOWMRILPNYSVFLK-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 135571625) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OWMRILPNYSVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)11-9-12(19)15-13(14-11)17-5-3-16(4-6-17)7-8-18/h9-10,18H,3-8H2,1-2H3,(H,14,15,19).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135571625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).