2-(azetidin-1-yl)-5-methoxypyrimidine

C8H11N3O — CID 163343627

IUPAC2-(azetidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cnc(N2CCC2)nc1
InChIInChI=1S/C8H11N3O/c1-12-7-5-9-8(10-6-7)11-3-2-4-11/h5-6H,2-4H2,1H3
InChIKeyMLNARZHZBMSMLV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.70
Rot. Bonds2

About 2-(azetidin-1-yl)-5-methoxypyrimidine

2-(azetidin-1-yl)-5-methoxypyrimidine (PubChem CID 163343627) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-methoxypyrimidine
PubChem CID163343627
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(azetidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cnc(N2CCC2)nc1
InChIInChI=1S/C8H11N3O/c1-12-7-5-9-8(10-6-7)11-3-2-4-11/h5-6H,2-4H2,1H3
InChIKeyMLNARZHZBMSMLV-UHFFFAOYSA-N
XLogP0.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-methoxypyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-5-methoxypyrimidine (CID 163343627) is 2-(azetidin-1-yl)-5-methoxypyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-5-methoxypyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-5-methoxypyrimidine is COc1cnc(N2CCC2)nc1.
What is the InChIKey of 2-(azetidin-1-yl)-5-methoxypyrimidine?
The InChIKey is MLNARZHZBMSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-7-5-9-8(10-6-7)11-3-2-4-11/h5-6H,2-4H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-5-methoxypyrimidine?
2-(azetidin-1-yl)-5-methoxypyrimidine has a molecular weight of 165.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-methoxypyrimidine is sourced from PubChem (CID 163343627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).