N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine

C9H12N4O — CID 134591526

IUPACN-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine
SMILESCON=C1CN(c2ncc(C)cn2)C1
InChIInChI=1S/C9H12N4O/c1-7-3-10-9(11-4-7)13-5-8(6-13)12-14-2/h3-4H,5-6H2,1-2H3
InChIKeyFALJPIOWTMJPPX-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.61
Rot. Bonds2

About N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine

N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine (PubChem CID 134591526) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine.

Molecular Properties

Compound NameN-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine
PubChem CID134591526
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine
SMILESCON=C1CN(c2ncc(C)cn2)C1
InChIInChI=1S/C9H12N4O/c1-7-3-10-9(11-4-7)13-5-8(6-13)12-14-2/h3-4H,5-6H2,1-2H3
InChIKeyFALJPIOWTMJPPX-UHFFFAOYSA-N
XLogP0.61
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
1-(5-bromopyrimidin-2-yl)-N-(oxetan-3-yloxy)azetidin-3-imine
CID 126562591
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
ethane;2-(3-fluoroazetidin-1-yl)-5-methylpyrimidine
CID 142345663
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
1-(5-bromo-3-cyclopropyl-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561739
CID 163461526
CID 163461526
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine?
The IUPAC name of N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine (CID 134591526) is N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine.
What is the SMILES notation for N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine?
The canonical SMILES for N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine is CON=C1CN(c2ncc(C)cn2)C1.
What is the InChIKey of N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine?
The InChIKey is FALJPIOWTMJPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7-3-10-9(11-4-7)13-5-8(6-13)12-14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine?
N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine has a molecular weight of 192.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(5-methylpyrimidin-2-yl)azetidin-3-imine is sourced from PubChem (CID 134591526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).