3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one

C9H13N3O — CID 107391275

IUPAC3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCC1CNC1
InChIInChI=1S/C9H13N3O/c13-9-1-3-10-7-12(9)4-2-8-5-11-6-8/h1,3,7-8,11H,2,4-6H2
InChIKeyQVIDKDILBNPRHK-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.15
Rot. Bonds3

About 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one

3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one (PubChem CID 107391275) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one
PubChem CID107391275
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCC1CNC1
InChIInChI=1S/C9H13N3O/c13-9-1-3-10-7-12(9)4-2-8-5-11-6-8/h1,3,7-8,11H,2,4-6H2
InChIKeyQVIDKDILBNPRHK-UHFFFAOYSA-N
XLogP-0.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,3-dioxan-2-yl)ethyl]pyrimidin-4-one
CID 66472540
3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-propylpyrimidin-4-one
CID 115679465
2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121461
3-butylpyrimidin-4-one
CID 115679478
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
3-(5-chloropentyl)pyrimidin-4-one
CID 63768650
3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
3-(3-methylbut-3-enyl)pyrimidin-4-one
CID 114447972
3-(6-oxopyrimidin-1-yl)propanethioamide
CID 63768335
3-(2-azidoethyl)pyrimidin-4-one
CID 63769905
3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
CID 63769679

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one (CID 107391275) is 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one is O=c1ccncn1CCC1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is QVIDKDILBNPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-1-3-10-7-12(9)4-2-8-5-11-6-8/h1,3,7-8,11H,2,4-6H2.
What are the key properties of 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one?
3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107391275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).