2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

C10H16N4O — CID 14877867

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H16N4O/c15-9-8-13-4-6-14(7-5-13)10-11-2-1-3-12-10/h1-3,15H,4-9H2
InChIKeyIJYSFZMTLIUWPO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.41
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (PubChem CID 14877867) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
PubChem CID14877867
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
SMILESOCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H16N4O/c15-9-8-13-4-6-14(7-5-13)10-11-2-1-3-12-10/h1-3,15H,4-9H2
InChIKeyIJYSFZMTLIUWPO-UHFFFAOYSA-N
XLogP-0.41
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol (CID 14877867) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is OCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
The InChIKey is IJYSFZMTLIUWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-9-8-13-4-6-14(7-5-13)10-11-2-1-3-12-10/h1-3,15H,4-9H2.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol?
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol has a molecular weight of 208.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 14877867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).