1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one

C17H23N7O — CID 126893933

IUPAC1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
SMILESCn1ccc(CN2CC(N3CCN(c4ncccn4)CC3)C2)nc1=O
InChIInChI=1S/C17H23N7O/c1-21-6-3-14(20-17(21)25)11-22-12-15(13-22)23-7-9-24(10-8-23)16-18-4-2-5-19-16/h2-6,15H,7-13H2,1H3
InChIKeyCEJGYRBRWFIXLP-UHFFFAOYSA-N
MW341.42 g/mol
LogP-0.42
Rot. Bonds4

About 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one

1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one (PubChem CID 126893933) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
PubChem CID126893933
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
SMILESCn1ccc(CN2CC(N3CCN(c4ncccn4)CC3)C2)nc1=O
InChIInChI=1S/C17H23N7O/c1-21-6-3-14(20-17(21)25)11-22-12-15(13-22)23-7-9-24(10-8-23)16-18-4-2-5-19-16/h2-6,15H,7-13H2,1H3
InChIKeyCEJGYRBRWFIXLP-UHFFFAOYSA-N
XLogP-0.42
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one with MolForge

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Related Compounds

4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126892652
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 126893855
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
2-[4-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]piperazin-1-yl]pyrimidine
CID 126894005
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126893915
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one?
The IUPAC name of 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one (CID 126893933) is 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one is Cn1ccc(CN2CC(N3CCN(c4ncccn4)CC3)C2)nc1=O.
What is the InChIKey of 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one?
The InChIKey is CEJGYRBRWFIXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-21-6-3-14(20-17(21)25)11-22-12-15(13-22)23-7-9-24(10-8-23)16-18-4-2-5-19-16/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one?
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one has a molecular weight of 341.42 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 126893933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).