3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one

C10H15N3O — CID 126857732

IUPAC3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC2CNC2)c(C)n1
InChIInChI=1S/C10H15N3O/c1-7-3-10(14)13(8(2)12-7)6-9-4-11-5-9/h3,9,11H,4-6H2,1-2H3
InChIKeyGVFYJQRPEKIJOM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.08
Rot. Bonds2

About 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one

3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 126857732) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID126857732
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC2CNC2)c(C)n1
InChIInChI=1S/C10H15N3O/c1-7-3-10(14)13(8(2)12-7)6-9-4-11-5-9/h3,9,11H,4-6H2,1-2H3
InChIKeyGVFYJQRPEKIJOM-UHFFFAOYSA-N
XLogP0.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one (CID 126857732) is 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC2CNC2)c(C)n1.
What is the InChIKey of 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is GVFYJQRPEKIJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-3-10(14)13(8(2)12-7)6-9-4-11-5-9/h3,9,11H,4-6H2,1-2H3.
What are the key properties of 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one?
3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126857732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).