1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine

C12H16BrN5O2 — CID 126562186

IUPAC1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine
SMILESBrc1cnc(N2CC(=NOCC3CNCCO3)C2)nc1
InChIInChI=1S/C12H16BrN5O2/c13-9-3-15-12(16-4-9)18-6-10(7-18)17-20-8-11-5-14-1-2-19-11/h3-4,11,14H,1-2,5-8H2
InChIKeySGIHELYIKLYSRH-UHFFFAOYSA-N
MW342.20 g/mol
LogP0.42
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine

1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine (PubChem CID 126562186) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine
PubChem CID126562186
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine
SMILESBrc1cnc(N2CC(=NOCC3CNCCO3)C2)nc1
InChIInChI=1S/C12H16BrN5O2/c13-9-3-15-12(16-4-9)18-6-10(7-18)17-20-8-11-5-14-1-2-19-11/h3-4,11,14H,1-2,5-8H2
InChIKeySGIHELYIKLYSRH-UHFFFAOYSA-N
XLogP0.42
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(morpholin-2-ylmethoxy)fluoren-9-imine
CID 10334632
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-N-[1-[[(2S)-morpholin-2-yl]methyl]pyrazol-4-yl]-1,3,5-triazin-2-amine
CID 118031514
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
2-[(3-bromo-4-methyl-2-pyridinyl)oxymethyl]morpholine
CID 106878636
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
(2S)-2-(methoxymethyl)morpholine;(2R)-2-(methoxymethyl)morpholine
CID 163652511
(2S)-2-(methoxymethyl)morpholine
CID 10103206
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-[(4-bromophenyl)methyl]morpholine
CID 66730468
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine (CID 126562186) is 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine is Brc1cnc(N2CC(=NOCC3CNCCO3)C2)nc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine?
The InChIKey is SGIHELYIKLYSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c13-9-3-15-12(16-4-9)18-6-10(7-18)17-20-8-11-5-14-1-2-19-11/h3-4,11,14H,1-2,5-8H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine?
1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine has a molecular weight of 342.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-N-(morpholin-2-ylmethoxy)azetidin-3-imine is sourced from PubChem (CID 126562186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).