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

C11H16N4O2 — CID 136989595

IUPAC5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2C3CCC2CC(O)C3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O2/c12-9-10(13-5-14-11(9)17)15-6-1-2-7(15)4-8(16)3-6/h5-8,16H,1-4,12H2,(H,13,14,17)
InChIKeyXDLOWQDWFHYPRO-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.16
Rot. Bonds1

About 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one

5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136989595) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
PubChem CID136989595
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2C3CCC2CC(O)C3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O2/c12-9-10(13-5-14-11(9)17)15-6-1-2-7(15)4-8(16)3-6/h5-8,16H,1-4,12H2,(H,13,14,17)
InChIKeyXDLOWQDWFHYPRO-UHFFFAOYSA-N
XLogP-0.16
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136933996
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136957889
5-amino-4-[2-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979541
5-amino-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979656
5-chloro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 136979690
5-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989569
4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-5-iodo-1H-pyrimidin-6-one
CID 137015664
5-bromo-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one
CID 137015666
5-amino-4-[(2-hydroxycycloheptyl)amino]-1H-pyrimidin-6-one
CID 137016625
6-{3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl}-3-methyl-3,4-dihydropyrimidin-4-one
CID 166604765

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one (CID 136989595) is 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one is Nc1c(N2C3CCC2CC(O)C3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is XDLOWQDWFHYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-10(13-5-14-11(9)17)15-6-1-2-7(15)4-8(16)3-6/h5-8,16H,1-4,12H2,(H,13,14,17).
What are the key properties of 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136989595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).