(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H17N5O2 — CID 171948778

IUPAC(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2COCC(C1)N2
InChIInChI=1S/C15H17N5O2/c21-14(10-3-12-7-22-8-13(4-10)19-12)11-5-17-15(18-6-11)20-2-1-16-9-20/h1-2,5-6,9-10,12-13,19H,3-4,7-8H2
InChIKeyJBYAZISGLLBKRE-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.61
Rot. Bonds3

About (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171948778) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171948778
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2COCC(C1)N2
InChIInChI=1S/C15H17N5O2/c21-14(10-3-12-7-22-8-13(4-10)19-12)11-5-17-15(18-6-11)20-2-1-16-9-20/h1-2,5-6,9-10,12-13,19H,3-4,7-8H2
InChIKeyJBYAZISGLLBKRE-UHFFFAOYSA-N
XLogP0.61
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 171940390
8-Oxa-2-azaspiro[4.5]decan-1-yl-[2-(pyrazin-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 139580419
3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl(pyrimidin-5-yl)methanone
CID 171937618
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-pyrimidin-5-ylmethanone
CID 171937619
5-(3-Oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)pyrimidine-2-carbonitrile
CID 171943389
5-(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)pyrimidine-2-carbonitrile
CID 171943390
(2-Methoxypyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943911
(2-Methoxypyrimidin-5-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943912
Imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945529
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945530
3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl(pyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171945604
3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl(pyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 171945629

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171948778) is (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is O=C(c1cnc(-n2ccnc2)nc1)C1CC2COCC(C1)N2.
What is the InChIKey of (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is JBYAZISGLLBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14(10-3-12-7-22-8-13(4-10)19-12)11-5-17-15(18-6-11)20-2-1-16-9-20/h1-2,5-6,9-10,12-13,19H,3-4,7-8H2.
What are the key properties of (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 299.33 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171948778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).