imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H18N4O2 — CID 171945530

IUPACimidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3ncccn13)C2
InChIInChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)14(20)13-7-17-15-16-3-2-4-19(13)15/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyUTYKWXAHHGDUES-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171945530) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171945530
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3ncccn13)C2
InChIInChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)14(20)13-7-17-15-16-3-2-4-19(13)15/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeyUTYKWXAHHGDUES-UHFFFAOYSA-N
XLogP1.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171937522
9-Azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945520
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945521
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945523
Imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945529
(9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945531
Tert-butyl 7-(imidazo[1,2-a]pyrimidine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945533
Imidazo[1,2-a]pyrazin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945554
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945555
Tert-butyl 7-(imidazo[1,2-a]pyrazine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945558
Imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945580
Imidazo[1,2-a]pyridin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945780

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171945530) is imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1cnc3ncccn13)C2.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is UTYKWXAHHGDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)14(20)13-7-17-15-16-3-2-4-19(13)15/h2-4,7,10-12H,5-6,8-9H2,1H3.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).