1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine

C10H11BrN4O2 — CID 126562591

IUPAC1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine
SMILESBrc1cnc(N2CC(=NOC3COC3)C2)nc1
InChIInChI=1S/C10H11BrN4O2/c11-7-1-12-10(13-2-7)15-3-8(4-15)14-17-9-5-16-6-9/h1-2,9H,3-6H2
InChIKeyZCGSFDAYBYNXTH-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.83
Rot. Bonds3

About 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine

1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine (PubChem CID 126562591) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine
PubChem CID126562591
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine
SMILESBrc1cnc(N2CC(=NOC3COC3)C2)nc1
InChIInChI=1S/C10H11BrN4O2/c11-7-1-12-10(13-2-7)15-3-8(4-15)14-17-9-5-16-6-9/h1-2,9H,3-6H2
InChIKeyZCGSFDAYBYNXTH-UHFFFAOYSA-N
XLogP0.83
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromopyrimidin-2-yl)-N-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]azetidin-3-imine
CID 126562168
1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine
CID 126562186
N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine
CID 134591526
3-(5-bromopyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370701
1-(5-bromopyrimidin-2-yl)azetidin-3-amine
CID 63873842
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
7-(5-bromopyrimidin-2-yl)-7-azabicyclo[2.2.1]heptane
CID 131198946
[2-fluoro-3-[2-[3-(1-methylazetidin-3-yl)oxyiminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methanol
CID 126562530
1-(5-bromopyrimidin-2-yl)-N-(2-methoxyethoxy)piperidin-4-imine
CID 126561795
1-(5-bromopyrimidin-2-yl)-N-[3-methyl-3-(oxan-2-yloxy)butoxy]piperidin-4-imine
CID 126562083
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
1-(5-bromo-3-cyclopropyl-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561739

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine (CID 126562591) is 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine is Brc1cnc(N2CC(=NOC3COC3)C2)nc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine?
The InChIKey is ZCGSFDAYBYNXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c11-7-1-12-10(13-2-7)15-3-8(4-15)14-17-9-5-16-6-9/h1-2,9H,3-6H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine?
1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine has a molecular weight of 299.13 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine is sourced from PubChem (CID 126562591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).