2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid

C13H19N5O2 — CID 107141454

IUPAC2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCN(c3ncccn3)CC2)CNC1
InChIInChI=1S/C13H19N5O2/c19-11(20)8-13(9-14-10-13)18-6-4-17(5-7-18)12-15-2-1-3-16-12/h1-3,14H,4-10H2,(H,19,20)
InChIKeyZEMUBDMFQFGPGG-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.58
Rot. Bonds4

About 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid

2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid (PubChem CID 107141454) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid
PubChem CID107141454
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(N2CCN(c3ncccn3)CC2)CNC1
InChIInChI=1S/C13H19N5O2/c19-11(20)8-13(9-14-10-13)18-6-4-17(5-7-18)12-15-2-1-3-16-12/h1-3,14H,4-10H2,(H,19,20)
InChIKeyZEMUBDMFQFGPGG-UHFFFAOYSA-N
XLogP-0.58
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496738
[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
CID 24691066
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2-piperazin-1-ylacetic acid;2-piperidin-1-ylpyrimidine
CID 174801084
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
3-[methyl-(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61186045
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid (CID 107141454) is 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid is O=C(O)CC1(N2CCN(c3ncccn3)CC2)CNC1.
What is the InChIKey of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid?
The InChIKey is ZEMUBDMFQFGPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-11(20)8-13(9-14-10-13)18-6-4-17(5-7-18)12-15-2-1-3-16-12/h1-3,14H,4-10H2,(H,19,20).
What are the key properties of 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid?
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid has a molecular weight of 277.33 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).