5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H20N4O — CID 82510715

IUPAC5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-9(2)11-14-7-10(12(17)15-11)8-16-5-3-13-4-6-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyOCUQRJZBXOLTLQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.30
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 82510715) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID82510715
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(CN2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-9(2)11-14-7-10(12(17)15-11)8-16-5-3-13-4-6-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyOCUQRJZBXOLTLQ-UHFFFAOYSA-N
XLogP0.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
5-Iodo-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 66340706
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-(2-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 82470560
5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82505249
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507622
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)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 82510715) is 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(CN2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OCUQRJZBXOLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)11-14-7-10(12(17)15-11)8-16-5-3-13-4-6-16/h7,9,13H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82510715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).