2-piperazin-1-yl-1H-pyrimidin-6-one

C8H12N4O — CID 1404239

IUPAC2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCNCC2)[nH]1
InChIInChI=1S/C8H12N4O/c13-7-1-2-10-8(11-7)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,10,11,13)
InChIKeyIJVBGXJBSYJQQE-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.82
Rot. Bonds1

About 2-piperazin-1-yl-1H-pyrimidin-6-one

2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 1404239) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID1404239
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESO=c1ccnc(N2CCNCC2)[nH]1
InChIInChI=1S/C8H12N4O/c13-7-1-2-10-8(11-7)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,10,11,13)
InChIKeyIJVBGXJBSYJQQE-UHFFFAOYSA-N
XLogP-0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-piperazin-1-yl-1H-pyrimidin-6-one (CID 1404239) is 2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-piperazin-1-yl-1H-pyrimidin-6-one is O=c1ccnc(N2CCNCC2)[nH]1.
What is the InChIKey of 2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IJVBGXJBSYJQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c13-7-1-2-10-8(11-7)12-5-3-9-4-6-12/h1-2,9H,3-6H2,(H,10,11,13).
What are the key properties of 2-piperazin-1-yl-1H-pyrimidin-6-one?
2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 1404239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).