(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H16N4O2 — CID 171948765

IUPAC(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)O2
InChIInChI=1S/C15H16N4O2/c20-14(10-5-12-1-2-13(6-10)21-12)11-7-17-15(18-8-11)19-4-3-16-9-19/h3-4,7-10,12-13H,1-2,5-6H2
InChIKeyIYJPZUMBVNHFES-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.80
Rot. Bonds3

About (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171948765) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171948765
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)O2
InChIInChI=1S/C15H16N4O2/c20-14(10-5-12-1-2-13(6-10)21-12)11-7-17-15(18-8-11)19-4-3-16-9-19/h3-4,7-10,12-13H,1-2,5-6H2
InChIKeyIYJPZUMBVNHFES-UHFFFAOYSA-N
XLogP1.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
CID 102923197
8-Oxabicyclo[3.2.1]octan-3-yl(pyrimidin-5-yl)methanone
CID 171937605
5-(8-Oxabicyclo[3.2.1]octane-3-carbonyl)pyrimidine-2-carbonitrile
CID 171943376
(2-Methoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943898
Imidazo[1,2-a]pyrimidin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945516
[2-(Dimethylamino)pyrimidin-5-yl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946064
(2-Ethoxypyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171946814
8-Oxabicyclo[3.2.1]octan-3-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 171948490
8-Azabicyclo[3.2.1]octan-3-yl-(2-imidazol-1-ylpyrimidin-5-yl)methanone
CID 171948759
(2-Imidazol-1-ylpyrimidin-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171948760
Tert-butyl 3-(2-imidazol-1-ylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948761
(2-Imidazol-1-ylpyrimidin-5-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171948766

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171948765) is (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc(-n2ccnc2)nc1)C1CC2CCC(C1)O2.
What is the InChIKey of (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is IYJPZUMBVNHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(10-5-12-1-2-13(6-10)21-12)11-7-17-15(18-8-11)19-4-3-16-9-19/h3-4,7-10,12-13H,1-2,5-6H2.
What are the key properties of (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-ylpyrimidin-5-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171948765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).