2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane

C14H25N5 — CID 171070316

IUPAC2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
SMILESCC.c1cnc(N2CCN(CC3CNC3)CC2)nc1
InChIInChI=1S/C12H19N5.C2H6/c1-2-14-12(15-3-1)17-6-4-16(5-7-17)10-11-8-13-9-11;1-2/h1-3,11,13H,4-10H2;1-2H3
InChIKeyJJFYMKCNTNOFTP-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane

2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane (PubChem CID 171070316) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane.

Molecular Properties

Compound Name2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
PubChem CID171070316
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
SMILESCC.c1cnc(N2CCN(CC3CNC3)CC2)nc1
InChIInChI=1S/C12H19N5.C2H6/c1-2-14-12(15-3-1)17-6-4-16(5-7-17)10-11-8-13-9-11;1-2/h1-3,11,13H,4-10H2;1-2H3
InChIKeyJJFYMKCNTNOFTP-UHFFFAOYSA-N
XLogP0.84
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]pyrimidine
CID 11587119
1-propan-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 138381321
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiomorpholine
CID 82916473
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane?
The IUPAC name of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane (CID 171070316) is 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane.
What is the SMILES notation for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane?
The canonical SMILES for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane is CC.c1cnc(N2CCN(CC3CNC3)CC2)nc1.
What is the InChIKey of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane?
The InChIKey is JJFYMKCNTNOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5.C2H6/c1-2-14-12(15-3-1)17-6-4-16(5-7-17)10-11-8-13-9-11;1-2/h1-3,11,13H,4-10H2;1-2H3.
What are the key properties of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane?
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane has a molecular weight of 263.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane is sourced from PubChem (CID 171070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).