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

C8H11N3O2 — CID 136979704

IUPAC4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H11N3O2/c1-8(13)3-11(4-8)6-2-7(12)10-5-9-6/h2,5,13H,3-4H2,1H3,(H,9,10,12)
InChIKeyCUYLFXSQUSSWNC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.66
Rot. Bonds1

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

4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136979704) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136979704
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1(O)CN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C8H11N3O2/c1-8(13)3-11(4-8)6-2-7(12)10-5-9-6/h2,5,13H,3-4H2,1H3,(H,9,10,12)
InChIKeyCUYLFXSQUSSWNC-UHFFFAOYSA-N
XLogP-0.66
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one (CID 136979704) is 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one is CC1(O)CN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is CUYLFXSQUSSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(13)3-11(4-8)6-2-7(12)10-5-9-6/h2,5,13H,3-4H2,1H3,(H,9,10,12).
What are the key properties of 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136979704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).