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

C9H14N4O — CID 82505249

IUPAC5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(5-11-7-12-9)6-13-3-1-10-2-4-13/h5,7,10H,1-4,6H2,(H,11,12,14)
InChIKeyROMPUOANJGIRJB-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.82
Rot. Bonds2

About 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82505249) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82505249
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1CN1CCNCC1
InChIInChI=1S/C9H14N4O/c14-9-8(5-11-7-12-9)6-13-3-1-10-2-4-13/h5,7,10H,1-4,6H2,(H,11,12,14)
InChIKeyROMPUOANJGIRJB-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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Related Compounds

Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one;hydrochloride
CID 177783535
3-(3-Oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 55237815
5-Iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66309077
5-Bromo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66310179
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507622
2-amino-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507832
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509438

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82505249) is 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1CN1CCNCC1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ROMPUOANJGIRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9-8(5-11-7-12-9)6-13-3-1-10-2-4-13/h5,7,10H,1-4,6H2,(H,11,12,14).
What are the key properties of 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
5-(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 5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82505249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).