8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone

C14H16N4O — CID 171945510

IUPAC8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-13(9-6-10-2-3-11(7-9)17-10)12-8-16-14-15-4-1-5-18(12)14/h1,4-5,8-11,17H,2-3,6-7H2
InChIKeyBXOKGXHUFPMOAR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.44
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 171945510) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID171945510
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCC(C1)N2
InChIInChI=1S/C14H16N4O/c19-13(9-6-10-2-3-11(7-9)17-10)12-8-16-14-15-4-1-5-18(12)14/h1,4-5,8-11,17H,2-3,6-7H2
InChIKeyBXOKGXHUFPMOAR-UHFFFAOYSA-N
XLogP1.44
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Imidazo[1,2-a]pyrimidin-3-yl-2-methylbutan-1-one
CID 135193956
2-Butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
CID 154612485
2-Ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
2-[rel-(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-ylcarbonyl]imidazo[1,2-a]pyrimidine hydrochloride
CID 74248549
N-[(2S,3R)-2-cyclopropyl-6-oxopiperidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 132311705
2-[(4aS*,7aS*)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-ylcarbonyl]imidazo[1,2-a]pyrimidine
CID 133113204
3-Imidazo[1,2-a]pyrimidin-3-ylpiperidin-4-one
CID 133645998
rel-(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-4-oxooctahydropyrrolo[1,2-a]pyrazine-7-carboxamide
CID 154817295
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone;hydrochloride
CID 154900956
1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 156609863
Imidazo[1,2-a]pyrimidin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945511
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945512

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone (CID 171945510) is 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone is O=C(c1cnc2ncccn12)C1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is BXOKGXHUFPMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13(9-6-10-2-3-11(7-9)17-10)12-8-16-14-15-4-1-5-18(12)14/h1,4-5,8-11,17H,2-3,6-7H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 171945510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).