2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one

C11H18N4O — CID 115414459

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-14-5-6-15(2)9(8-14)7-10-12-4-3-11(16)13-10/h3-4,9H,5-8H2,1-2H3,(H,12,13,16)
InChIKeyIODFDKWSMICLNI-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.44
Rot. Bonds2

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one

2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 115414459) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
PubChem CID115414459
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one
SMILESCN1CCN(C)C(Cc2nccc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-14-5-6-15(2)9(8-14)7-10-12-4-3-11(16)13-10/h3-4,9H,5-8H2,1-2H3,(H,12,13,16)
InChIKeyIODFDKWSMICLNI-UHFFFAOYSA-N
XLogP-0.44
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Methyl-1-piperazinyl)methyl]-4(3h)-pyrimidinone
CID 67216931
8-butan-2-yl-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 153405165
2-[2-(diethylamino)ethyl]-1H-pyrimidin-6-one
CID 43654586
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63362648
2-(1-Aminopropyl)-3,4-dihydropyrimidin-4-one
CID 63362735
2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 63362903
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
CID 63362944

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one (CID 115414459) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one is CN1CCN(C)C(Cc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is IODFDKWSMICLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-5-6-15(2)9(8-14)7-10-12-4-3-11(16)13-10/h3-4,9H,5-8H2,1-2H3,(H,12,13,16).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 115414459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).