5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine

C10H15N3O — CID 175956804

IUPAC5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine
SMILESCCOC1CN(Cc2cncnc2)C1
InChIInChI=1S/C10H15N3O/c1-2-14-10-6-13(7-10)5-9-3-11-8-12-4-9/h3-4,8,10H,2,5-7H2,1H3
InChIKeyBJAVHNMSEYBLTI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.70
Rot. Bonds4

About 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine

5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine (PubChem CID 175956804) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine
PubChem CID175956804
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine
SMILESCCOC1CN(Cc2cncnc2)C1
InChIInChI=1S/C10H15N3O/c1-2-14-10-6-13(7-10)5-9-3-11-8-12-4-9/h3-4,8,10H,2,5-7H2,1H3
InChIKeyBJAVHNMSEYBLTI-UHFFFAOYSA-N
XLogP0.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
3-bromo-5-[(3-methoxyazetidin-1-yl)methyl]pyridine
CID 130159726
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
2-ethyl-5-[(2-methylpyrimidin-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 144878183
3-ethoxy-1-(2-iodoethyl)azetidine
CID 166768424
3-bromo-5-(3-ethoxyazetidin-1-yl)pyridine
CID 131007918
3-[(3-methoxyazetidin-1-yl)methyl]-5-prop-1-en-2-ylpyridine
CID 123637445
[(8S,9R,10R)-9-[4-(4-methylphenyl)phenyl]-6-(pyrimidin-5-ylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
CID 134828811
5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62207953
1-[(3-ethoxyazetidin-1-yl)methyl]cyclopentan-1-ol
CID 126846884
(3aR,5R,6R,7aS)-6-[(2,6-dimethyl-3-pyridinyl)oxy]-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175641100
5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
CID 155940752

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine?
The IUPAC name of 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine (CID 175956804) is 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine is CCOC1CN(Cc2cncnc2)C1.
What is the InChIKey of 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine?
The InChIKey is BJAVHNMSEYBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-14-10-6-13(7-10)5-9-3-11-8-12-4-9/h3-4,8,10H,2,5-7H2,1H3.
What are the key properties of 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine?
5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine has a molecular weight of 193.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxyazetidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 175956804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).