4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one

C11H15N3O2 — CID 136957889

IUPAC4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2C3CCC2CC(O)C3)nc[nH]1
InChIInChI=1S/C11H15N3O2/c15-9-3-7-1-2-8(4-9)14(7)10-5-11(16)13-6-12-10/h5-9,15H,1-4H2,(H,12,13,16)
InChIKeyQJSGUYXYAGCZOW-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds1

About 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one

4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136957889) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
PubChem CID136957889
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2C3CCC2CC(O)C3)nc[nH]1
InChIInChI=1S/C11H15N3O2/c15-9-3-7-1-2-8(4-9)14(7)10-5-11(16)13-6-12-10/h5-9,15H,1-4H2,(H,12,13,16)
InChIKeyQJSGUYXYAGCZOW-UHFFFAOYSA-N
XLogP0.26
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxycycloheptyl)amino]-1H-pyrimidin-6-one
CID 136957108
4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957355
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136957763
4-[2-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979543
2-cyclopropyl-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136979689
5-chloro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136979690
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
5-bromo-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 137015666

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one (CID 136957889) is 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one is O=c1cc(N2C3CCC2CC(O)C3)nc[nH]1.
What is the InChIKey of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is QJSGUYXYAGCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-9-3-7-1-2-8(4-9)14(7)10-5-11(16)13-6-12-10/h5-9,15H,1-4H2,(H,12,13,16).
What are the key properties of 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).