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

C8H11N3O3 — CID 136979674

IUPAC4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)C2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-14-6-7(9-4-10-8(6)13)11-2-5(12)3-11/h4-5,12H,2-3H2,1H3,(H,9,10,13)
InChIKeyLNAIDTGTYMIRIG-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.04
Rot. Bonds2

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

4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979674) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979674
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)C2)nc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-14-6-7(9-4-10-8(6)13)11-2-5(12)3-11/h4-5,12H,2-3H2,1H3,(H,9,10,13)
InChIKeyLNAIDTGTYMIRIG-UHFFFAOYSA-N
XLogP-1.04
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979674) is 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(O)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LNAIDTGTYMIRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-6-7(9-4-10-8(6)13)11-2-5(12)3-11/h4-5,12H,2-3H2,1H3,(H,9,10,13).
What are the key properties of 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 197.19 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).