6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one

C12H17N3O2 — CID 166604765

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2C3CCC2CC(O)C3)cc1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-13-11(6-12(14)17)15-8-2-3-9(15)5-10(16)4-8/h6-10,16H,2-5H2,1H3
InChIKeyJSKZMGQFQIWKBO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.27
Rot. Bonds1

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one

6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one (PubChem CID 166604765) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one
PubChem CID166604765
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2C3CCC2CC(O)C3)cc1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-13-11(6-12(14)17)15-8-2-3-9(15)5-10(16)4-8/h6-10,16H,2-5H2,1H3
InChIKeyJSKZMGQFQIWKBO-UHFFFAOYSA-N
XLogP0.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-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-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136957889
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979691
5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136989595
2-ethyl-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136989596
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-5-iodo-1H-pyrimidin-6-one
CID 137015664
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-1H-pyrimidin-6-one
CID 137015665

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one (CID 166604765) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one is Cn1cnc(N2C3CCC2CC(O)C3)cc1=O.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one?
The InChIKey is JSKZMGQFQIWKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-7-13-11(6-12(14)17)15-8-2-3-9(15)5-10(16)4-8/h6-10,16H,2-5H2,1H3.
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one?
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 166604765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).