[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol

C13H20N4O2 — CID 111976492

IUPAC[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCN(c3ncccn3)CC2)COC1
InChIInChI=1S/C13H20N4O2/c18-9-13(10-19-11-13)8-16-4-6-17(7-5-16)12-14-2-1-3-15-12/h1-3,18H,4-11H2
InChIKeyGPXSORGZGZHRMJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.39
Rot. Bonds4

About [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol

[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol (PubChem CID 111976492) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol
PubChem CID111976492
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCN(c3ncccn3)CC2)COC1
InChIInChI=1S/C13H20N4O2/c18-9-13(10-19-11-13)8-16-4-6-17(7-5-16)12-14-2-1-3-15-12/h1-3,18H,4-11H2
InChIKeyGPXSORGZGZHRMJ-UHFFFAOYSA-N
XLogP-0.39
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
2-[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65496738
[1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
CID 62262303
1-[3-fluoro-4-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 111976551
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
[3-[(4-benzylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270720
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
furan-3-yl-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]methanone
CID 111976736
1-[(2-methyloxan-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane;bis(2,2,2-trifluoroacetic acid)
CID 171321301
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988

Frequently Asked Questions

What is the IUPAC name of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol (CID 111976492) is [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol is OCC1(CN2CCN(c3ncccn3)CC2)COC1.
What is the InChIKey of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is GPXSORGZGZHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-9-13(10-19-11-13)8-16-4-6-17(7-5-16)12-14-2-1-3-15-12/h1-3,18H,4-11H2.
What are the key properties of [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol?
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 264.33 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).