3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C14H18N4O — CID 171959695

IUPAC3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1cnc3ncccn13)C2
InChIInChI=1S/C14H18N4O/c1-17-10-3-4-11(17)8-14(19,7-10)12-9-16-13-15-5-2-6-18(12)13/h2,5-6,9-11,19H,3-4,7-8H2,1H3
InChIKeyRUIFEKRYIMVCII-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.17
Rot. Bonds1

About 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171959695) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171959695
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(c1cnc3ncccn13)C2
InChIInChI=1S/C14H18N4O/c1-17-10-3-4-11(17)8-14(19,7-10)12-9-16-13-15-5-2-6-18(12)13/h2,5-6,9-11,19H,3-4,7-8H2,1H3
InChIKeyRUIFEKRYIMVCII-UHFFFAOYSA-N
XLogP1.17
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171959695) is 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(c1cnc3ncccn13)C2.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RUIFEKRYIMVCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-10-3-4-11(17)8-14(19,7-10)12-9-16-13-15-5-2-6-18(12)13/h2,5-6,9-11,19H,3-4,7-8H2,1H3.
What are the key properties of 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 258.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrimidin-3-yl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171959695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).