2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one

C11H18N4O — CID 83890793

IUPAC2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(CN2CCNCC2)c(=O)n1C
InChIInChI=1S/C11H18N4O/c1-9-13-7-10(11(16)14(9)2)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3
InChIKeyNLWUAOUGLYMBBO-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.51
Rot. Bonds2

About 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one

2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one (PubChem CID 83890793) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
PubChem CID83890793
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(CN2CCNCC2)c(=O)n1C
InChIInChI=1S/C11H18N4O/c1-9-13-7-10(11(16)14(9)2)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3
InChIKeyNLWUAOUGLYMBBO-UHFFFAOYSA-N
XLogP-0.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione;hydrochloride
CID 394412
1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydrochloride
CID 394414
1-[(5,5-Dimethyl-4,6-dihydro-1h-pyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394415
7-fluoro-3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681804
3-[(2,2-Dimethylpiperazin-1-yl)methyl]-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 176681826
7-fluoro-3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 176681970
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 48164668
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
2,2-dimethyl-N-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 157500872

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one (CID 83890793) is 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one is Cc1ncc(CN2CCNCC2)c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
The InChIKey is NLWUAOUGLYMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-13-7-10(11(16)14(9)2)8-15-5-3-12-4-6-15/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one?
2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 83890793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).