4-pyrimidin-2-ylpiperazin-2-ol

C8H12N4O — CID 90736802

IUPAC4-pyrimidin-2-ylpiperazin-2-ol
SMILESOC1CN(c2ncccn2)CCN1
InChIInChI=1S/C8H12N4O/c13-7-6-12(5-4-9-7)8-10-2-1-3-11-8/h1-3,7,9,13H,4-6H2
InChIKeyFBRXOTZGYRWHLP-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.80
Rot. Bonds1

About 4-pyrimidin-2-ylpiperazin-2-ol

4-pyrimidin-2-ylpiperazin-2-ol (PubChem CID 90736802) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-pyrimidin-2-ylpiperazin-2-ol.

Molecular Properties

Compound Name4-pyrimidin-2-ylpiperazin-2-ol
PubChem CID90736802
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-pyrimidin-2-ylpiperazin-2-ol
SMILESOC1CN(c2ncccn2)CCN1
InChIInChI=1S/C8H12N4O/c13-7-6-12(5-4-9-7)8-10-2-1-3-11-8/h1-3,7,9,13H,4-6H2
InChIKeyFBRXOTZGYRWHLP-UHFFFAOYSA-N
XLogP-0.80
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylpiperazin-2-ol?
The IUPAC name of 4-pyrimidin-2-ylpiperazin-2-ol (CID 90736802) is 4-pyrimidin-2-ylpiperazin-2-ol.
What is the SMILES notation for 4-pyrimidin-2-ylpiperazin-2-ol?
The canonical SMILES for 4-pyrimidin-2-ylpiperazin-2-ol is OC1CN(c2ncccn2)CCN1.
What is the InChIKey of 4-pyrimidin-2-ylpiperazin-2-ol?
The InChIKey is FBRXOTZGYRWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-7-6-12(5-4-9-7)8-10-2-1-3-11-8/h1-3,7,9,13H,4-6H2.
What are the key properties of 4-pyrimidin-2-ylpiperazin-2-ol?
4-pyrimidin-2-ylpiperazin-2-ol has a molecular weight of 180.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylpiperazin-2-ol is sourced from PubChem (CID 90736802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).