4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C9H13N3O3 — CID 136979708

IUPAC4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(14)3-12(4-9)7-6(15-2)8(13)11-5-10-7/h5,14H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXYSYJUAYDFJLHJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.65
Rot. Bonds2

About 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979708) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979708
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-9(14)3-12(4-9)7-6(15-2)8(13)11-5-10-7/h5,14H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXYSYJUAYDFJLHJ-UHFFFAOYSA-N
XLogP-0.65
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979708) is 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(C)(O)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XYSYJUAYDFJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(14)3-12(4-9)7-6(15-2)8(13)11-5-10-7/h5,14H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).