4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C13H19N3O2 — CID 136989600

IUPAC4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC(O)(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-8(2)12-14-10(5-11(17)15-12)16-6-13(18,7-16)9-3-4-9/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyFLIXNGCZFJVEHD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds3

About 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136989600) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136989600
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CC(O)(C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-8(2)12-14-10(5-11(17)15-12)16-6-13(18,7-16)9-3-4-9/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyFLIXNGCZFJVEHD-UHFFFAOYSA-N
XLogP0.85
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-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

Related Compounds

4-(3-ethyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979715
2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822018
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008940
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
(3S,4S)-4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136954404
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009379
1-methyl-4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 136865956
4-[4-(azetidin-3-yl)piperazin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978566

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136989600) is 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CC(O)(C3CC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FLIXNGCZFJVEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)12-14-10(5-11(17)15-12)16-6-13(18,7-16)9-3-4-9/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).