imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

C15H17N3OS — CID 171945526

IUPACimidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H17N3OS/c19-14(10-7-11-3-1-4-12(8-10)20-11)13-9-17-15-16-5-2-6-18(13)15/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyBDGWZYJWIYTINE-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.98
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945526) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945526
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H17N3OS/c19-14(10-7-11-3-1-4-12(8-10)20-11)13-9-17-15-16-5-2-6-18(13)15/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyBDGWZYJWIYTINE-UHFFFAOYSA-N
XLogP2.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945526) is imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is BDGWZYJWIYTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(10-7-11-3-1-4-12(8-10)20-11)13-9-17-15-16-5-2-6-18(13)15/h2,5-6,9-12H,1,3-4,7-8H2.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).