2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine

C10H15N3O — CID 117231622

IUPAC2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
SMILESCCOc1cnc(CC2CNC2)nc1
InChIInChI=1S/C10H15N3O/c1-2-14-9-6-12-10(13-7-9)3-8-4-11-5-8/h6-8,11H,2-5H2,1H3
InChIKeyYDXVKHWDFJXLHP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.64
Rot. Bonds4

About 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine

2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine (PubChem CID 117231622) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
PubChem CID117231622
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
SMILESCCOc1cnc(CC2CNC2)nc1
InChIInChI=1S/C10H15N3O/c1-2-14-9-6-12-10(13-7-9)3-8-4-11-5-8/h6-8,11H,2-5H2,1H3
InChIKeyYDXVKHWDFJXLHP-UHFFFAOYSA-N
XLogP0.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine (CID 117231622) is 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine is CCOc1cnc(CC2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine?
The InChIKey is YDXVKHWDFJXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-14-9-6-12-10(13-7-9)3-8-4-11-5-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine?
2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine has a molecular weight of 193.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine is sourced from PubChem (CID 117231622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).