2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C9H14N4O — CID 63362903

IUPAC2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CN2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O/c14-9-1-2-11-8(12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,11,12,14)
InChIKeyKRUCIWTYOMVHGF-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.82
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 63362903) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID63362903
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CN2CCNCC2)[nH]1
InChIInChI=1S/C9H14N4O/c14-9-1-2-11-8(12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,11,12,14)
InChIKeyKRUCIWTYOMVHGF-UHFFFAOYSA-N
XLogP-0.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
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-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 63362903) is 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CN2CCNCC2)[nH]1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is KRUCIWTYOMVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-1-2-11-8(12-9)7-13-5-3-10-4-6-13/h1-2,10H,3-7H2,(H,11,12,14).
What are the key properties of 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63362903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).