2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

C12H21N5O — CID 114206187

IUPAC2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C12H21N5O/c1-13-6-9-7-14-11(15-12(9)18)10-8-16(2)4-5-17(10)3/h7,10,13H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyIKDGDHQDAPZYIL-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.59
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206187) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206187
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2CN(C)CCN2C)[nH]c1=O
InChIInChI=1S/C12H21N5O/c1-13-6-9-7-14-11(15-12(9)18)10-8-16(2)4-5-17(10)3/h7,10,13H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyIKDGDHQDAPZYIL-UHFFFAOYSA-N
XLogP-0.59
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681804
7-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
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
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63362941
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(2-piperazin-1-ylpropan-2-yl)-1H-pyrimidin-6-one
CID 63362944
4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63554115
4-hydroxy-5-methyl-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63554650

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 114206187) is 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc(C2CN(C)CCN2C)[nH]c1=O.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is IKDGDHQDAPZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-13-6-9-7-14-11(15-12(9)18)10-8-16(2)4-5-17(10)3/h7,10,13H,4-6,8H2,1-3H3,(H,14,15,18).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).