4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one

C8H11N3O2 — CID 114586449

IUPAC4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CNC2)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-10-7(12)2-8(11-5)13-6-3-9-4-6/h2,6,9H,3-4H2,1H3,(H,10,11,12)
InChIKeyUUHCPYOELUNBGZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.57
Rot. Bonds2

About 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one

4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586449) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID114586449
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CNC2)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-5-10-7(12)2-8(11-5)13-6-3-9-4-6/h2,6,9H,3-4H2,1H3,(H,10,11,12)
InChIKeyUUHCPYOELUNBGZ-UHFFFAOYSA-N
XLogP-0.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one (CID 114586449) is 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC2CNC2)cc(=O)[nH]1.
What is the InChIKey of 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UUHCPYOELUNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-10-7(12)2-8(11-5)13-6-3-9-4-6/h2,6,9H,3-4H2,1H3,(H,10,11,12).
What are the key properties of 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one?
4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).