2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine

C13H21N5 — CID 171069848

IUPAC2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCN1CC(CN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C13H21N5/c1-16-9-12(10-16)11-17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,12H,5-11H2,1H3
InChIKeyMEOCXSXRRUZFSJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.16
Rot. Bonds3

About 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 171069848) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID171069848
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCN1CC(CN2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C13H21N5/c1-16-9-12(10-16)11-17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,12H,5-11H2,1H3
InChIKeyMEOCXSXRRUZFSJ-UHFFFAOYSA-N
XLogP0.16
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 138381321
1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperazine
CID 135217005
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine (CID 171069848) is 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine is CN1CC(CN2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is MEOCXSXRRUZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-16-9-12(10-16)11-17-5-7-18(8-6-17)13-14-3-2-4-15-13/h2-4,12H,5-11H2,1H3.
What are the key properties of 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171069848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).