3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride

C7H9BrClN3O — CID 155970384

IUPAC3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)cn2)COC1
InChIInChI=1S/C7H8BrN3O.ClH/c8-5-1-10-6(11-2-5)7(9)3-12-4-7;/h1-2H,3-4,9H2;1H
InChIKeyBQHKLUOYRFZFNZ-UHFFFAOYSA-N
MW266.53 g/mol
LogP0.85
Rot. Bonds1

About 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride

3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride (PubChem CID 155970384) has the molecular formula C7H9BrClN3O and a molecular weight of 266.53 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
PubChem CID155970384
Molecular FormulaC7H9BrClN3O
Molecular Weight266.53 g/mol
Exact Mass264.96
IUPAC Name3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ncc(Br)cn2)COC1
InChIInChI=1S/C7H8BrN3O.ClH/c8-5-1-10-6(11-2-5)7(9)3-12-4-7;/h1-2H,3-4,9H2;1H
InChIKeyBQHKLUOYRFZFNZ-UHFFFAOYSA-N
XLogP0.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.53
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(5-methylpyrimidin-2-yl)oxetan-3-amine
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5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
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1-(5-bromo-2-pyridinyl)cyclopropan-1-amine;dihydrochloride
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[1-(5-bromopyrimidin-2-yl)cyclopentyl]methanamine
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CID 142668143
1-(5-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 130545603
1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 175988619
3-phenyloxetan-3-amine;hydrochloride
CID 53256980
1-(5-fluoropyrimidin-2-yl)cyclopropan-1-amine
CID 67291362
3-(5-bromo-2-chlorophenyl)oxetan-3-amine
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3-(4-bromo-2-fluorophenyl)oxetan-3-amine
CID 155977887

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride (CID 155970384) is 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ncc(Br)cn2)COC1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride?
The InChIKey is BQHKLUOYRFZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O.ClH/c8-5-1-10-6(11-2-5)7(9)3-12-4-7;/h1-2H,3-4,9H2;1H.
What are the key properties of 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride?
3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride has a molecular weight of 266.53 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 155970384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).