2-piperazin-1-ylpyrimidin-5-ol

C8H12N4O — CID 34180809

IUPAC2-piperazin-1-ylpyrimidin-5-ol
SMILESOc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4O/c13-7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9,13H,1-4H2
InChIKeyQLKRAKYZQCJDSA-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.41
Rot. Bonds1

About 2-piperazin-1-ylpyrimidin-5-ol

2-piperazin-1-ylpyrimidin-5-ol (PubChem CID 34180809) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-piperazin-1-ylpyrimidin-5-ol.

Molecular Properties

Compound Name2-piperazin-1-ylpyrimidin-5-ol
PubChem CID34180809
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-piperazin-1-ylpyrimidin-5-ol
SMILESOc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4O/c13-7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9,13H,1-4H2
InChIKeyQLKRAKYZQCJDSA-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyrimidin-5-ol?
The IUPAC name of 2-piperazin-1-ylpyrimidin-5-ol (CID 34180809) is 2-piperazin-1-ylpyrimidin-5-ol.
What is the SMILES notation for 2-piperazin-1-ylpyrimidin-5-ol?
The canonical SMILES for 2-piperazin-1-ylpyrimidin-5-ol is Oc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 2-piperazin-1-ylpyrimidin-5-ol?
The InChIKey is QLKRAKYZQCJDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9,13H,1-4H2.
What are the key properties of 2-piperazin-1-ylpyrimidin-5-ol?
2-piperazin-1-ylpyrimidin-5-ol has a molecular weight of 180.21 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyrimidin-5-ol is sourced from PubChem (CID 34180809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).